2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-methoxy-5-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,5-diamine

C18H23N7O3 — CID 68995919

IUPAC2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-methoxy-5-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,5-diamine
SMILESCOc1nc(NCc2cc(C3CC3)no2)ncc1Nc1cc(OC(C)C)n[nH]1
InChIInChI=1S/C18H23N7O3/c1-10(2)27-16-7-15(23-24-16)21-14-9-20-18(22-17(14)26-3)19-8-12-6-13(25-28-12)11-4-5-11/h6-7,9-11H,4-5,8H2,1-3H3,(H,19,20,22)(H2,21,23,24)
InChIKeyZIYZPHMAKZVKLG-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.22
Rot. Bonds9

About 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-methoxy-5-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,5-diamine

2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-methoxy-5-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,5-diamine (PubChem CID 68995919) has the molecular formula C18H23N7O3 and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-methoxy-5-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-methoxy-5-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,5-diamine
PubChem CID68995919
Molecular FormulaC18H23N7O3
Molecular Weight385.43 g/mol
Exact Mass385.19
IUPAC Name2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-methoxy-5-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,5-diamine
SMILESCOc1nc(NCc2cc(C3CC3)no2)ncc1Nc1cc(OC(C)C)n[nH]1
InChIInChI=1S/C18H23N7O3/c1-10(2)27-16-7-15(23-24-16)21-14-9-20-18(22-17(14)26-3)19-8-12-6-13(25-28-12)11-4-5-11/h6-7,9-11H,4-5,8H2,1-3H3,(H,19,20,22)(H2,21,23,24)
InChIKeyZIYZPHMAKZVKLG-UHFFFAOYSA-N
XLogP3.22
TPSA123.01 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-methoxy-5-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,5-diamine with MolForge

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Related Compounds

5-bromo-2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
CID 68875937
2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)(1,3-15N2)pyrimidine-2,4-di(15N2)amine
CID 68937421
2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-6-methyl-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
CID 24776024
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine
CID 59758109
4-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine
CID 112637367
1-(3-cyclobutyl-1,2-oxazol-5-yl)-N-methylmethanamine
CID 83845888
1-[(1R)-1-cyclopropylethyl]-N-(3-methoxy-1H-pyrazol-5-yl)pyrazolo[3,4-b]pyrazin-6-amine
CID 169290480
5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine
CID 67162932
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 11588399
5-fluoro-4-methoxy-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine
CID 137334221
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine
CID 168752181
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 131930604

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-methoxy-5-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,5-diamine?
The IUPAC name of 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-methoxy-5-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,5-diamine (CID 68995919) is 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-methoxy-5-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-methoxy-5-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-methoxy-5-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,5-diamine is COc1nc(NCc2cc(C3CC3)no2)ncc1Nc1cc(OC(C)C)n[nH]1.
What is the InChIKey of 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-methoxy-5-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,5-diamine?
The InChIKey is ZIYZPHMAKZVKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O3/c1-10(2)27-16-7-15(23-24-16)21-14-9-20-18(22-17(14)26-3)19-8-12-6-13(25-28-12)11-4-5-11/h6-7,9-11H,4-5,8H2,1-3H3,(H,19,20,22)(H2,21,23,24).
What are the key properties of 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-methoxy-5-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,5-diamine?
2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-methoxy-5-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,5-diamine has a molecular weight of 385.43 g/mol, XLogP of 3.22, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-methoxy-5-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,5-diamine is sourced from PubChem (CID 68995919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).