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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Related Compounds

(4R)-1-(6-methyl-2-phenylpyrimidin-4-yl)azepan-4-amine
CID 95723048
N-[(3S)-1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 95127459
1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 72884221
N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidin-4-amine
CID 97438269
1-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperidin-4-amine
CID 56767077
(3aR,6aS)-5-[1-(6-methyl-2-phenylpyrimidin-4-yl)piperidin-4-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 72920514
4-(6-methyl-2-phenylpyrimidin-4-yl)piperazine-2-carboxylic acid
CID 56867245
N-[(3S)-thiolan-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 97194477
N-[1-[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 49430969
N-cyclopropyl-1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]piperidin-4-amine
CID 133381181
4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine
CID 154842652
N-cycloheptyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880530

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).