6-chloro-2-cyclopropyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine

C14H18ClN5 — CID 133421183

IUPAC6-chloro-2-cyclopropyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine
SMILESCc1cc(CC(C)Nc2cc(Cl)nc(C3CC3)n2)n[nH]1
InChIInChI=1S/C14H18ClN5/c1-8(5-11-6-9(2)19-20-11)16-13-7-12(15)17-14(18-13)10-3-4-10/h6-8,10H,3-5H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyYIXUNULOEPOJHQ-UHFFFAOYSA-N
MW291.79 g/mol
LogP3.08
Rot. Bonds5

About 6-chloro-2-cyclopropyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine (PubChem CID 133421183) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine
PubChem CID133421183
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name6-chloro-2-cyclopropyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine
SMILESCc1cc(CC(C)Nc2cc(Cl)nc(C3CC3)n2)n[nH]1
InChIInChI=1S/C14H18ClN5/c1-8(5-11-6-9(2)19-20-11)16-13-7-12(15)17-14(18-13)10-3-4-10/h6-8,10H,3-5H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyYIXUNULOEPOJHQ-UHFFFAOYSA-N
XLogP3.08
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 80950895
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CID 80948003
6-chloro-2-cyclopropyl-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 80953581
6-chloro-2-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine
CID 80953868
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CID 97104049
6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine
CID 80950847
6-chloro-2-cyclopropyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine
CID 114114406
6-chloro-2-cyclopropyl-N-[1-(1H-imidazol-2-yl)ethyl]pyrimidin-4-amine
CID 107257730
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133378121
6-chloro-2-cyclopropyl-N-(1-phenylpropyl)pyrimidin-4-amine
CID 80950968
5-ethyl-2-methyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine
CID 95131902
5-ethyl-2-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine
CID 50970028

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine (CID 133421183) is 6-chloro-2-cyclopropyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine is Cc1cc(CC(C)Nc2cc(Cl)nc(C3CC3)n2)n[nH]1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine?
The InChIKey is YIXUNULOEPOJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-8(5-11-6-9(2)19-20-11)16-13-7-12(15)17-14(18-13)10-3-4-10/h6-8,10H,3-5H2,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 6-chloro-2-cyclopropyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine has a molecular weight of 291.79 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 133421183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).