6-chloro-2-cyclopropyl-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine

C14H18ClN5 — CID 80970262

IUPAC6-chloro-2-cyclopropyl-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1N(C)Cc1cnn(C)c1
InChIInChI=1S/C14H18ClN5/c1-9-12(15)17-13(11-4-5-11)18-14(9)19(2)7-10-6-16-20(3)8-10/h6,8,11H,4-5,7H2,1-3H3
InChIKeyVSMKFQRMAZORED-UHFFFAOYSA-N
MW291.79 g/mol
LogP2.69
Rot. Bonds4

About 6-chloro-2-cyclopropyl-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine

6-chloro-2-cyclopropyl-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 80970262) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID80970262
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name6-chloro-2-cyclopropyl-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1N(C)Cc1cnn(C)c1
InChIInChI=1S/C14H18ClN5/c1-9-12(15)17-13(11-4-5-11)18-14(9)19(2)7-10-6-16-20(3)8-10/h6,8,11H,4-5,7H2,1-3H3
InChIKeyVSMKFQRMAZORED-UHFFFAOYSA-N
XLogP2.69
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine (CID 80970262) is 6-chloro-2-cyclopropyl-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine is Cc1c(Cl)nc(C2CC2)nc1N(C)Cc1cnn(C)c1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is VSMKFQRMAZORED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-9-12(15)17-13(11-4-5-11)18-14(9)19(2)7-10-6-16-20(3)8-10/h6,8,11H,4-5,7H2,1-3H3.
What are the key properties of 6-chloro-2-cyclopropyl-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 291.79 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80970262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).