N-methyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine

C17H21N7 — CID 118740003

IUPACN-methyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
SMILESCNc1nccc(C2CCCCN2Cc2cnn3cccnc23)n1
InChIInChI=1S/C17H21N7/c1-18-17-20-8-6-14(22-17)15-5-2-3-9-23(15)12-13-11-21-24-10-4-7-19-16(13)24/h4,6-8,10-11,15H,2-3,5,9,12H2,1H3,(H,18,20,22)
InChIKeyMJCLRYDSFZPGKR-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.29
Rot. Bonds4

About N-methyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine

N-methyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine (PubChem CID 118740003) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-methyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
PubChem CID118740003
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC NameN-methyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
SMILESCNc1nccc(C2CCCCN2Cc2cnn3cccnc23)n1
InChIInChI=1S/C17H21N7/c1-18-17-20-8-6-14(22-17)15-5-2-3-9-23(15)12-13-11-21-24-10-4-7-19-16(13)24/h4,6-8,10-11,15H,2-3,5,9,12H2,1H3,(H,18,20,22)
InChIKeyMJCLRYDSFZPGKR-UHFFFAOYSA-N
XLogP2.29
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine?
The IUPAC name of N-methyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine (CID 118740003) is N-methyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine is CNc1nccc(C2CCCCN2Cc2cnn3cccnc23)n1.
What is the InChIKey of N-methyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine?
The InChIKey is MJCLRYDSFZPGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-18-17-20-8-6-14(22-17)15-5-2-3-9-23(15)12-13-11-21-24-10-4-7-19-16(13)24/h4,6-8,10-11,15H,2-3,5,9,12H2,1H3,(H,18,20,22).
What are the key properties of N-methyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine?
N-methyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine has a molecular weight of 323.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 118740003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).