N-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine

C21H29N5 — CID 95219621

IUPACN-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine
SMILESCN(Cc1ccc2c(c1)CCCN2C)c1cc([C@@H]2CCCNC2)ncn1
InChIInChI=1S/C21H29N5/c1-25-10-4-6-17-11-16(7-8-20(17)25)14-26(2)21-12-19(23-15-24-21)18-5-3-9-22-13-18/h7-8,11-12,15,18,22H,3-6,9-10,13-14H2,1-2H3/t18-/m1/s1
InChIKeyILWKIGHVCRCENF-GOSISDBHSA-N
MW351.50 g/mol
LogP2.96
Rot. Bonds4

About N-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine

N-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine (PubChem CID 95219621) has the molecular formula C21H29N5 and a molecular weight of 351.50 g/mol. Its IUPAC name is N-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine
PubChem CID95219621
Molecular FormulaC21H29N5
Molecular Weight351.50 g/mol
Exact Mass351.24
IUPAC NameN-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine
SMILESCN(Cc1ccc2c(c1)CCCN2C)c1cc([C@@H]2CCCNC2)ncn1
InChIInChI=1S/C21H29N5/c1-25-10-4-6-17-11-16(7-8-20(17)25)14-26(2)21-12-19(23-15-24-21)18-5-3-9-22-13-18/h7-8,11-12,15,18,22H,3-6,9-10,13-14H2,1-2H3/t18-/m1/s1
InChIKeyILWKIGHVCRCENF-GOSISDBHSA-N
XLogP2.96
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine
CID 95207906
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine
CID 51907450
N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine
CID 56703021
1-methyl-6-(2-piperidin-4-ylethyl)-3,4-dihydro-2H-quinoline
CID 62095616
1-methyl-7-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 117363448
6-(3-aminocyclobutyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154903423
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine
CID 95197067
3-[6-[benzyl(methyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91775340
N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82538771
N-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62096006
1-(2-fluoro-4-piperidin-3-ylphenyl)-4-methylpiperazine
CID 117444808
N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837305

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine (CID 95219621) is N-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine is CN(Cc1ccc2c(c1)CCCN2C)c1cc([C@@H]2CCCNC2)ncn1.
What is the InChIKey of N-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is ILWKIGHVCRCENF-GOSISDBHSA-N. The full InChI is InChI=1S/C21H29N5/c1-25-10-4-6-17-11-16(7-8-20(17)25)14-26(2)21-12-19(23-15-24-21)18-5-3-9-22-13-18/h7-8,11-12,15,18,22H,3-6,9-10,13-14H2,1-2H3/t18-/m1/s1.
What are the key properties of N-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
N-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 351.50 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 95219621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).