N-methyl-4-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine

C19H26N6O — CID 125164949

IUPACN-methyl-4-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine
SMILESCNc1nc([C@H]2CCOC2)cc(N2CCN(c3ccncc3C)CC2)n1
InChIInChI=1S/C19H26N6O/c1-14-12-21-5-3-17(14)24-6-8-25(9-7-24)18-11-16(15-4-10-26-13-15)22-19(20-2)23-18/h3,5,11-12,15H,4,6-10,13H2,1-2H3,(H,20,22,23)/t15-/m0/s1
InChIKeyGVWJKZJCUWDGKY-HNNXBMFYSA-N
MW354.46 g/mol
LogP2.05
Rot. Bonds4

About N-methyl-4-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine

N-methyl-4-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine (PubChem CID 125164949) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N-methyl-4-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine
PubChem CID125164949
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC NameN-methyl-4-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine
SMILESCNc1nc([C@H]2CCOC2)cc(N2CCN(c3ccncc3C)CC2)n1
InChIInChI=1S/C19H26N6O/c1-14-12-21-5-3-17(14)24-6-8-25(9-7-24)18-11-16(15-4-10-26-13-15)22-19(20-2)23-18/h3,5,11-12,15H,4,6-10,13H2,1-2H3,(H,20,22,23)/t15-/m0/s1
InChIKeyGVWJKZJCUWDGKY-HNNXBMFYSA-N
XLogP2.05
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine?
The IUPAC name of N-methyl-4-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine (CID 125164949) is N-methyl-4-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine is CNc1nc([C@H]2CCOC2)cc(N2CCN(c3ccncc3C)CC2)n1.
What is the InChIKey of N-methyl-4-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine?
The InChIKey is GVWJKZJCUWDGKY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-14-12-21-5-3-17(14)24-6-8-25(9-7-24)18-11-16(15-4-10-26-13-15)22-19(20-2)23-18/h3,5,11-12,15H,4,6-10,13H2,1-2H3,(H,20,22,23)/t15-/m0/s1.
What are the key properties of N-methyl-4-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine?
N-methyl-4-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine has a molecular weight of 354.46 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 125164949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).