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

C17H15ClN8O — CID 67284323

IUPAC5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(NCc3cc(-c4ccccn4)no3)ncc2Cl)n[nH]1
InChIInChI=1S/C17H15ClN8O/c1-10-6-15(25-24-10)22-16-12(18)9-21-17(23-16)20-8-11-7-14(26-27-11)13-4-2-3-5-19-13/h2-7,9H,8H2,1H3,(H3,20,21,22,23,24,25)
InChIKeyKBFMKHFVONCAAY-UHFFFAOYSA-N
MW382.82 g/mol
LogP3.57
Rot. Bonds6

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

5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 67284323) has the molecular formula C17H15ClN8O and a molecular weight of 382.82 g/mol. Its IUPAC name is 5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID67284323
Molecular FormulaC17H15ClN8O
Molecular Weight382.82 g/mol
Exact Mass382.11
IUPAC Name5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(NCc3cc(-c4ccccn4)no3)ncc2Cl)n[nH]1
InChIInChI=1S/C17H15ClN8O/c1-10-6-15(25-24-10)22-16-12(18)9-21-17(23-16)20-8-11-7-14(26-27-11)13-4-2-3-5-19-13/h2-7,9H,8H2,1H3,(H3,20,21,22,23,24,25)
InChIKeyKBFMKHFVONCAAY-UHFFFAOYSA-N
XLogP3.57
TPSA117.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.82
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 67284323) is 5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is Cc1cc(Nc2nc(NCc3cc(-c4ccccn4)no3)ncc2Cl)n[nH]1.
What is the InChIKey of 5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is KBFMKHFVONCAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN8O/c1-10-6-15(25-24-10)22-16-12(18)9-21-17(23-16)20-8-11-7-14(26-27-11)13-4-2-3-5-19-13/h2-7,9H,8H2,1H3,(H3,20,21,22,23,24,25).
What are the key properties of 5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 382.82 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 67284323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).