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

C18H23N7O2 — CID 24776024

IUPAC2-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
SMILESCc1cc(Nc2cc(OC(C)C)n[nH]2)nc(NCc2cc(C3CC3)no2)n1
InChIInChI=1S/C18H23N7O2/c1-10(2)26-17-8-16(23-24-17)21-15-6-11(3)20-18(22-15)19-9-13-7-14(25-27-13)12-4-5-12/h6-8,10,12H,4-5,9H2,1-3H3,(H3,19,20,21,22,23,24)
InChIKeySBJRHAQVVOYWMU-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.52
Rot. Bonds8

About 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

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 (PubChem CID 24776024) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID24776024
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name2-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
SMILESCc1cc(Nc2cc(OC(C)C)n[nH]2)nc(NCc2cc(C3CC3)no2)n1
InChIInChI=1S/C18H23N7O2/c1-10(2)26-17-8-16(23-24-17)21-15-6-11(3)20-18(22-15)19-9-13-7-14(25-27-13)12-4-5-12/h6-8,10,12H,4-5,9H2,1-3H3,(H3,19,20,21,22,23,24)
InChIKeySBJRHAQVVOYWMU-UHFFFAOYSA-N
XLogP3.52
TPSA113.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(Nc2cc(OC(C)C)n[nH]2)nc(NCc2cc(C3CC3)no2)n1.
What is the InChIKey of 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?
The InChIKey is SBJRHAQVVOYWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-10(2)26-17-8-16(23-24-17)21-15-6-11(3)20-18(22-15)19-9-13-7-14(25-27-13)12-4-5-12/h6-8,10,12H,4-5,9H2,1-3H3,(H3,19,20,21,22,23,24).
What are the key properties of 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?
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 has a molecular weight of 369.43 g/mol, XLogP of 3.52, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 24776024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).