1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(3R)-thiolan-3-yl]piperidin-4-amine

C20H26N4S — CID 97268462

IUPAC1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(3R)-thiolan-3-yl]piperidin-4-amine
SMILESCc1cc(N2CCC(N[C@@H]3CCSC3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H26N4S/c1-15-13-19(23-20(21-15)16-5-3-2-4-6-16)24-10-7-17(8-11-24)22-18-9-12-25-14-18/h2-6,13,17-18,22H,7-12,14H2,1H3/t18-/m1/s1
InChIKeyPRFPPMKLVAASRF-GOSISDBHSA-N
MW354.52 g/mol
LogP3.52
Rot. Bonds4

About 1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(3R)-thiolan-3-yl]piperidin-4-amine

1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(3R)-thiolan-3-yl]piperidin-4-amine (PubChem CID 97268462) has the molecular formula C20H26N4S and a molecular weight of 354.52 g/mol. Its IUPAC name is 1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(3R)-thiolan-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(3R)-thiolan-3-yl]piperidin-4-amine
PubChem CID97268462
Molecular FormulaC20H26N4S
Molecular Weight354.52 g/mol
Exact Mass354.19
IUPAC Name1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(3R)-thiolan-3-yl]piperidin-4-amine
SMILESCc1cc(N2CCC(N[C@@H]3CCSC3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H26N4S/c1-15-13-19(23-20(21-15)16-5-3-2-4-6-16)24-10-7-17(8-11-24)22-18-9-12-25-14-18/h2-6,13,17-18,22H,7-12,14H2,1H3/t18-/m1/s1
InChIKeyPRFPPMKLVAASRF-GOSISDBHSA-N
XLogP3.52
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(3R)-thiolan-3-yl]piperidin-4-amine?
The IUPAC name of 1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(3R)-thiolan-3-yl]piperidin-4-amine (CID 97268462) is 1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(3R)-thiolan-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(3R)-thiolan-3-yl]piperidin-4-amine?
The canonical SMILES for 1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(3R)-thiolan-3-yl]piperidin-4-amine is Cc1cc(N2CCC(N[C@@H]3CCSC3)CC2)nc(-c2ccccc2)n1.
What is the InChIKey of 1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(3R)-thiolan-3-yl]piperidin-4-amine?
The InChIKey is PRFPPMKLVAASRF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N4S/c1-15-13-19(23-20(21-15)16-5-3-2-4-6-16)24-10-7-17(8-11-24)22-18-9-12-25-14-18/h2-6,13,17-18,22H,7-12,14H2,1H3/t18-/m1/s1.
What are the key properties of 1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(3R)-thiolan-3-yl]piperidin-4-amine?
1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(3R)-thiolan-3-yl]piperidin-4-amine has a molecular weight of 354.52 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(3R)-thiolan-3-yl]piperidin-4-amine is sourced from PubChem (CID 97268462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).