N-cyclopropyl-2-methyl-6-piperidin-3-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine

C20H30N6 — CID 56707994

IUPACN-cyclopropyl-2-methyl-6-piperidin-3-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(C2CCCNC2)cc(N(Cc2c(C)nn(C)c2C)C2CC2)n1
InChIInChI=1S/C20H30N6/c1-13-18(14(2)25(4)24-13)12-26(17-7-8-17)20-10-19(22-15(3)23-20)16-6-5-9-21-11-16/h10,16-17,21H,5-9,11-12H2,1-4H3
InChIKeyMTEQJAAAWBBYGY-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.77
Rot. Bonds5

About N-cyclopropyl-2-methyl-6-piperidin-3-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine

N-cyclopropyl-2-methyl-6-piperidin-3-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 56707994) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-6-piperidin-3-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-6-piperidin-3-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID56707994
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC NameN-cyclopropyl-2-methyl-6-piperidin-3-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(C2CCCNC2)cc(N(Cc2c(C)nn(C)c2C)C2CC2)n1
InChIInChI=1S/C20H30N6/c1-13-18(14(2)25(4)24-13)12-26(17-7-8-17)20-10-19(22-15(3)23-20)16-6-5-9-21-11-16/h10,16-17,21H,5-9,11-12H2,1-4H3
InChIKeyMTEQJAAAWBBYGY-UHFFFAOYSA-N
XLogP2.77
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-6-piperidin-3-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-2-methyl-6-piperidin-3-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine (CID 56707994) is N-cyclopropyl-2-methyl-6-piperidin-3-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-2-methyl-6-piperidin-3-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-2-methyl-6-piperidin-3-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine is Cc1nc(C2CCCNC2)cc(N(Cc2c(C)nn(C)c2C)C2CC2)n1.
What is the InChIKey of N-cyclopropyl-2-methyl-6-piperidin-3-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is MTEQJAAAWBBYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6/c1-13-18(14(2)25(4)24-13)12-26(17-7-8-17)20-10-19(22-15(3)23-20)16-6-5-9-21-11-16/h10,16-17,21H,5-9,11-12H2,1-4H3.
What are the key properties of N-cyclopropyl-2-methyl-6-piperidin-3-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine?
N-cyclopropyl-2-methyl-6-piperidin-3-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 354.50 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-6-piperidin-3-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 56707994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).