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

C18H27N7O — CID 125168732

IUPACN-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine
SMILESCNc1nc([C@H]2CCOC2)cc(N2CCN(Cc3nccn3C)CC2)n1
InChIInChI=1S/C18H27N7O/c1-19-18-21-15(14-3-10-26-13-14)11-16(22-18)25-8-6-24(7-9-25)12-17-20-4-5-23(17)2/h4-5,11,14H,3,6-10,12-13H2,1-2H3,(H,19,21,22)/t14-/m0/s1
InChIKeyDCHXYKVKBGBZCV-AWEZNQCLSA-N
MW357.46 g/mol
LogP1.08
Rot. Bonds5

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

N-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine (PubChem CID 125168732) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine
PubChem CID125168732
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC NameN-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine
SMILESCNc1nc([C@H]2CCOC2)cc(N2CCN(Cc3nccn3C)CC2)n1
InChIInChI=1S/C18H27N7O/c1-19-18-21-15(14-3-10-26-13-14)11-16(22-18)25-8-6-24(7-9-25)12-17-20-4-5-23(17)2/h4-5,11,14H,3,6-10,12-13H2,1-2H3,(H,19,21,22)/t14-/m0/s1
InChIKeyDCHXYKVKBGBZCV-AWEZNQCLSA-N
XLogP1.08
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine?
The IUPAC name of N-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine (CID 125168732) is N-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine is CNc1nc([C@H]2CCOC2)cc(N2CCN(Cc3nccn3C)CC2)n1.
What is the InChIKey of N-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine?
The InChIKey is DCHXYKVKBGBZCV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N7O/c1-19-18-21-15(14-3-10-26-13-14)11-16(22-18)25-8-6-24(7-9-25)12-17-20-4-5-23(17)2/h4-5,11,14H,3,6-10,12-13H2,1-2H3,(H,19,21,22)/t14-/m0/s1.
What are the key properties of N-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine?
N-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine has a molecular weight of 357.46 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 125168732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).