6-chloro-2-N-cyclopropyl-4-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidine-2,4-diamine

C13H17ClN6 — CID 138049509

IUPAC6-chloro-2-N-cyclopropyl-4-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1[nH]nc(CNc2cc(Cl)nc(NC3CC3)n2)c1C
InChIInChI=1S/C13H17ClN6/c1-7-8(2)19-20-10(7)6-15-12-5-11(14)17-13(18-12)16-9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,19,20)(H2,15,16,17,18)
InChIKeyHWLMDIHXMPSTOP-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.66
Rot. Bonds5

About 6-chloro-2-N-cyclopropyl-4-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidine-2,4-diamine

6-chloro-2-N-cyclopropyl-4-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 138049509) has the molecular formula C13H17ClN6 and a molecular weight of 292.77 g/mol. Its IUPAC name is 6-chloro-2-N-cyclopropyl-4-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-cyclopropyl-4-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidine-2,4-diamine
PubChem CID138049509
Molecular FormulaC13H17ClN6
Molecular Weight292.77 g/mol
Exact Mass292.12
IUPAC Name6-chloro-2-N-cyclopropyl-4-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1[nH]nc(CNc2cc(Cl)nc(NC3CC3)n2)c1C
InChIInChI=1S/C13H17ClN6/c1-7-8(2)19-20-10(7)6-15-12-5-11(14)17-13(18-12)16-9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,19,20)(H2,15,16,17,18)
InChIKeyHWLMDIHXMPSTOP-UHFFFAOYSA-N
XLogP2.66
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-N-cyclopropyl-4-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

6-cyclopropyl-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-amine
CID 138031055
2-N-cyclopropyl-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112907551
4-chloro-N-cyclopropyl-6-propylpyrimidin-2-amine
CID 82461167
4-N-[(2-chlorophenyl)methyl]-2-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
CID 112907552
4-chloro-N-cyclopropyl-6-ethylpyrimidin-2-amine
CID 82460935
4,6-dichloro-N-(4-fluorocyclohexyl)pyrimidin-2-amine
CID 139300223
2-N-cyclopropyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112907595
6-chloro-2-N-cyclohexyl-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 88570909
3-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137271882
6-chloro-2-cyclopropyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 103880239
6-chloro-2-cyclopropyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 80953674
6-chloro-4-N-methyl-2-N-[(4-methylcyclohexyl)methyl]pyrimidine-2,4-diamine
CID 145055889

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-cyclopropyl-4-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-cyclopropyl-4-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidine-2,4-diamine (CID 138049509) is 6-chloro-2-N-cyclopropyl-4-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-cyclopropyl-4-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-cyclopropyl-4-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidine-2,4-diamine is Cc1[nH]nc(CNc2cc(Cl)nc(NC3CC3)n2)c1C.
What is the InChIKey of 6-chloro-2-N-cyclopropyl-4-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is HWLMDIHXMPSTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6/c1-7-8(2)19-20-10(7)6-15-12-5-11(14)17-13(18-12)16-9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,19,20)(H2,15,16,17,18).
What are the key properties of 6-chloro-2-N-cyclopropyl-4-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidine-2,4-diamine?
6-chloro-2-N-cyclopropyl-4-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 292.77 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-cyclopropyl-4-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 138049509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).