N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

C21H31N5 — CID 133309531

IUPACN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCN(C)Cc1cccc(CNc2cc(N3CCCC(C)C3)ncn2)c1
InChIInChI=1S/C21H31N5/c1-4-25(3)15-19-9-5-8-18(11-19)13-22-20-12-21(24-16-23-20)26-10-6-7-17(2)14-26/h5,8-9,11-12,16-17H,4,6-7,10,13-15H2,1-3H3,(H,22,23,24)
InChIKeySGTRRTCGXUCNSW-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.78
Rot. Bonds7

About N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 133309531) has the molecular formula C21H31N5 and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID133309531
Molecular FormulaC21H31N5
Molecular Weight353.51 g/mol
Exact Mass353.26
IUPAC NameN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCN(C)Cc1cccc(CNc2cc(N3CCCC(C)C3)ncn2)c1
InChIInChI=1S/C21H31N5/c1-4-25(3)15-19-9-5-8-18(11-19)13-22-20-12-21(24-16-23-20)26-10-6-7-17(2)14-26/h5,8-9,11-12,16-17H,4,6-7,10,13-15H2,1-3H3,(H,22,23,24)
InChIKeySGTRRTCGXUCNSW-UHFFFAOYSA-N
XLogP3.78
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine with MolForge

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Related Compounds

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133297091
N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112855144
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133298860
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133300410
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 127299861
N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112863983
N-benzyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112871546
N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856719
N-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine
CID 80834548
N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133304157
6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112857915
N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133459927

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 133309531) is N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is CCN(C)Cc1cccc(CNc2cc(N3CCCC(C)C3)ncn2)c1.
What is the InChIKey of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is SGTRRTCGXUCNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5/c1-4-25(3)15-19-9-5-8-18(11-19)13-22-20-12-21(24-16-23-20)26-10-6-7-17(2)14-26/h5,8-9,11-12,16-17H,4,6-7,10,13-15H2,1-3H3,(H,22,23,24).
What are the key properties of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 353.51 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 133309531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).