4-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]pyrimidin-2-amine

C19H26N4O — CID 133293203

IUPAC4-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCC2CCN(Cc3ccc(C)cc3)CC2)n1
InChIInChI=1S/C19H26N4O/c1-15-3-5-17(6-4-15)14-23-11-8-16(9-12-23)13-21-19-20-10-7-18(22-19)24-2/h3-7,10,16H,8-9,11-14H2,1-2H3,(H,20,21,22)
InChIKeyFVTYXZRKKNVPKC-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.12
Rot. Bonds6

About 4-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]pyrimidin-2-amine

4-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]pyrimidin-2-amine (PubChem CID 133293203) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]pyrimidin-2-amine
PubChem CID133293203
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name4-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCC2CCN(Cc3ccc(C)cc3)CC2)n1
InChIInChI=1S/C19H26N4O/c1-15-3-5-17(6-4-15)14-23-11-8-16(9-12-23)13-21-19-20-10-7-18(22-19)24-2/h3-7,10,16H,8-9,11-14H2,1-2H3,(H,20,21,22)
InChIKeyFVTYXZRKKNVPKC-UHFFFAOYSA-N
XLogP3.12
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopentylmethyl)-4-methoxypyrimidin-2-amine
CID 112684482
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133277590
N-[(1-ethylpiperidin-3-yl)methyl]-4-methoxypyrimidin-2-amine
CID 75358087
4-methoxy-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 107413823
N-[(1-benzylpiperidin-4-yl)methyl]-4-naphthalen-2-ylpyrimidin-2-amine
CID 68730680
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 3059133
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-4-methylpyrimidin-2-amine
CID 133309903
4-methoxy-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171998794
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-6-methylpyridin-2-amine
CID 133482531
4-ethyl-1-[(4-methylphenyl)methyl]piperidine
CID 144879966
2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]pyrazine
CID 154580959
4,6-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-2-amine
CID 115355062

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]pyrimidin-2-amine (CID 133293203) is 4-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]pyrimidin-2-amine is COc1ccnc(NCC2CCN(Cc3ccc(C)cc3)CC2)n1.
What is the InChIKey of 4-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]pyrimidin-2-amine?
The InChIKey is FVTYXZRKKNVPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15-3-5-17(6-4-15)14-23-11-8-16(9-12-23)13-21-19-20-10-7-18(22-19)24-2/h3-7,10,16H,8-9,11-14H2,1-2H3,(H,20,21,22).
What are the key properties of 4-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]pyrimidin-2-amine?
4-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]pyrimidin-2-amine has a molecular weight of 326.44 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 133293203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).