2-cyclopropyl-N-methyl-N-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine

C21H28N4S — CID 172904420

IUPAC2-cyclopropyl-N-methyl-N-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
SMILESCSc1ccc(CN2CCCC(N(C)c3ccnc(C4CC4)n3)C2)cc1
InChIInChI=1S/C21H28N4S/c1-24(20-11-12-22-21(23-20)17-7-8-17)18-4-3-13-25(15-18)14-16-5-9-19(26-2)10-6-16/h5-6,9-12,17-18H,3-4,7-8,13-15H2,1-2H3
InChIKeyPGZSFKCIYKVOEZ-UHFFFAOYSA-N
MW368.55 g/mol
LogP4.18
Rot. Bonds6

About 2-cyclopropyl-N-methyl-N-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine

2-cyclopropyl-N-methyl-N-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine (PubChem CID 172904420) has the molecular formula C21H28N4S and a molecular weight of 368.55 g/mol. Its IUPAC name is 2-cyclopropyl-N-methyl-N-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-methyl-N-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
PubChem CID172904420
Molecular FormulaC21H28N4S
Molecular Weight368.55 g/mol
Exact Mass368.20
IUPAC Name2-cyclopropyl-N-methyl-N-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
SMILESCSc1ccc(CN2CCCC(N(C)c3ccnc(C4CC4)n3)C2)cc1
InChIInChI=1S/C21H28N4S/c1-24(20-11-12-22-21(23-20)17-7-8-17)18-4-3-13-25(15-18)14-16-5-9-19(26-2)10-6-16/h5-6,9-12,17-18H,3-4,7-8,13-15H2,1-2H3
InChIKeyPGZSFKCIYKVOEZ-UHFFFAOYSA-N
XLogP4.18
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 172893269
2-cyclopropyl-N-methyl-N-[1-[(2-nitrophenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 172904637
2-cyclopropyl-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine
CID 172902539
2-cyclopropyl-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172904384
2-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
CID 172903091
N-(1-benzylpiperidin-3-yl)-N,6-dimethylpyridin-2-amine
CID 133483749
2-cyclopropyl-N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172892095
2-N,4-N,4-N-trimethyl-2-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 171998751
2-N,2-N,4-N-trimethyl-4-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 175651595
N-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 172893331
N-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidin-4-amine
CID 172902521
3-[[3-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]piperidin-1-yl]methyl]benzonitrile
CID 172903180

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-methyl-N-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-methyl-N-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine (CID 172904420) is 2-cyclopropyl-N-methyl-N-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-methyl-N-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-methyl-N-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine is CSc1ccc(CN2CCCC(N(C)c3ccnc(C4CC4)n3)C2)cc1.
What is the InChIKey of 2-cyclopropyl-N-methyl-N-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is PGZSFKCIYKVOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4S/c1-24(20-11-12-22-21(23-20)17-7-8-17)18-4-3-13-25(15-18)14-16-5-9-19(26-2)10-6-16/h5-6,9-12,17-18H,3-4,7-8,13-15H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-methyl-N-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine?
2-cyclopropyl-N-methyl-N-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 368.55 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-methyl-N-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 172904420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).