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

C22H30N4O — CID 126450304

IUPAC2-methyl-6-[(3R)-oxolan-3-yl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(NCCN2CCC(c3ccccc3)CC2)cc([C@H]2CCOC2)n1
InChIInChI=1S/C22H30N4O/c1-17-24-21(20-9-14-27-16-20)15-22(25-17)23-10-13-26-11-7-19(8-12-26)18-5-3-2-4-6-18/h2-6,15,19-20H,7-14,16H2,1H3,(H,23,24,25)/t20-/m0/s1
InChIKeyKNMALURIBPVMQZ-FQEVSTJZSA-N
MW366.51 g/mol
LogP3.58
Rot. Bonds6

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

2-methyl-6-[(3R)-oxolan-3-yl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrimidin-4-amine (PubChem CID 126450304) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-methyl-6-[(3R)-oxolan-3-yl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-[(3R)-oxolan-3-yl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrimidin-4-amine
PubChem CID126450304
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name2-methyl-6-[(3R)-oxolan-3-yl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(NCCN2CCC(c3ccccc3)CC2)cc([C@H]2CCOC2)n1
InChIInChI=1S/C22H30N4O/c1-17-24-21(20-9-14-27-16-20)15-22(25-17)23-10-13-26-11-7-19(8-12-26)18-5-3-2-4-6-18/h2-6,15,19-20H,7-14,16H2,1H3,(H,23,24,25)/t20-/m0/s1
InChIKeyKNMALURIBPVMQZ-FQEVSTJZSA-N
XLogP3.58
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(3R)-oxolan-3-yl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-[(3R)-oxolan-3-yl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrimidin-4-amine (CID 126450304) is 2-methyl-6-[(3R)-oxolan-3-yl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-[(3R)-oxolan-3-yl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-[(3R)-oxolan-3-yl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrimidin-4-amine is Cc1nc(NCCN2CCC(c3ccccc3)CC2)cc([C@H]2CCOC2)n1.
What is the InChIKey of 2-methyl-6-[(3R)-oxolan-3-yl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrimidin-4-amine?
The InChIKey is KNMALURIBPVMQZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H30N4O/c1-17-24-21(20-9-14-27-16-20)15-22(25-17)23-10-13-26-11-7-19(8-12-26)18-5-3-2-4-6-18/h2-6,15,19-20H,7-14,16H2,1H3,(H,23,24,25)/t20-/m0/s1.
What are the key properties of 2-methyl-6-[(3R)-oxolan-3-yl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrimidin-4-amine?
2-methyl-6-[(3R)-oxolan-3-yl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrimidin-4-amine has a molecular weight of 366.51 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(3R)-oxolan-3-yl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 126450304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).