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

C17H23N7O — CID 59648418

IUPAC2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCC(C)c1cc(CNc2nccc(Nc3cc(C(C)C)[nH]n3)n2)on1
InChIInChI=1S/C17H23N7O/c1-10(2)13-8-16(23-22-13)20-15-5-6-18-17(21-15)19-9-12-7-14(11(3)4)24-25-12/h5-8,10-11H,9H2,1-4H3,(H3,18,19,20,21,22,23)
InChIKeyAETOPUNRONSDLZ-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.79
Rot. Bonds7

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

2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 59648418) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID59648418
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCC(C)c1cc(CNc2nccc(Nc3cc(C(C)C)[nH]n3)n2)on1
InChIInChI=1S/C17H23N7O/c1-10(2)13-8-16(23-22-13)20-15-5-6-18-17(21-15)19-9-12-7-14(11(3)4)24-25-12/h5-8,10-11H,9H2,1-4H3,(H3,18,19,20,21,22,23)
InChIKeyAETOPUNRONSDLZ-UHFFFAOYSA-N
XLogP3.79
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

Xl-228
CID 59757974
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 24971342
N~2~-[(3-Methyl-1,2-Oxazol-5-Yl)methyl]-N~4~-[5-(2-Phenylethyl)-1h-Pyrazol-3-Yl]pyrimidine-2,4-Diamine
CID 60154330
5-Bromo-N~4~-[3-(3-Methoxypropyl)-1h-Pyrazol-5-Yl]-N~2~-[(3-Methyl-1,2-Oxazol-5-Yl)methyl]pyrimidine-2,4-Diamine
CID 56973549
5-Bromo-N~2~-[(3-Methyl-1,2-Oxazol-5-Yl)methyl]-N~4~-[3-(2-Phenylethyl)-1h-Pyrazol-5-Yl]pyrimidine-2,4-Diamine
CID 56973550
2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 24774912
5-Bromo-2-(3-methylisoxazol-5-ylmethylamino)-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidine
CID 60154285
5-bromo-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 60154326
5-chloro-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 60154327
2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 60154328
4-N-[5-(3-methoxypropyl)-1H-pyrazol-3-yl]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 60154329
5-bromo-2-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 60154335

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (CID 59648418) is 2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is CC(C)c1cc(CNc2nccc(Nc3cc(C(C)C)[nH]n3)n2)on1.
What is the InChIKey of 2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is AETOPUNRONSDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-10(2)13-8-16(23-22-13)20-15-5-6-18-17(21-15)19-9-12-7-14(11(3)4)24-25-12/h5-8,10-11H,9H2,1-4H3,(H3,18,19,20,21,22,23).
What are the key properties of 2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 341.42 g/mol, XLogP of 3.79, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 59648418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).