N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine

C13H21ClN4 — CID 112751145

IUPACN-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
SMILESCN1CCC(CN(C)Cc2ccnc(Cl)n2)CC1
InChIInChI=1S/C13H21ClN4/c1-17-7-4-11(5-8-17)9-18(2)10-12-3-6-15-13(14)16-12/h3,6,11H,4-5,7-10H2,1-2H3
InChIKeyVBWKOCICTXSHLM-UHFFFAOYSA-N
MW268.79 g/mol
LogP1.90
Rot. Bonds4

About N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine

N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine (PubChem CID 112751145) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine.

Molecular Properties

Compound NameN-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
PubChem CID112751145
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC NameN-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
SMILESCN1CCC(CN(C)Cc2ccnc(Cl)n2)CC1
InChIInChI=1S/C13H21ClN4/c1-17-7-4-11(5-8-17)9-18(2)10-12-3-6-15-13(14)16-12/h3,6,11H,4-5,7-10H2,1-2H3
InChIKeyVBWKOCICTXSHLM-UHFFFAOYSA-N
XLogP1.90
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methyl-2-pyrimidinyl)-4-piperidinecarboxamide
CID 91406466
4-Methyl-2-(piperazin-1-yl)pyrimidine dihydrochloride
CID 18364978
4-ethyl-5-{1-[(2-ethylpyrimidin-4-yl)methyl]piperidin-3-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56705290
2-(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-N,N-dimethylpyrimidin-4-amine
CID 56749000
3-[(Dimethylamino)methyl]-1-[(2-isopropyl-4-pyrimidinyl)methyl]-3-piperidinol
CID 70736990
2-[3-(1-isopropyl-1H-imidazol-2-yl)-1-piperidinyl]-4-methylpyrimidine
CID 72868863
N-{[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl}-4-methylpyrimidin-2-amine
CID 72912703
4-Methyl-2-(1-pyrimidin-2-ylazetidin-3-yl)pyrimidine
CID 73439109
N,N-dimethyl-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide
CID 95808509
N,N-dimethyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-2-amine
CID 95816988
2-Methyl-4-[3-(4-methylpyrimidin-2-yl)azetidin-1-yl]pyrimidine
CID 95841766
9-Methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecane
CID 97393770

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine?
The IUPAC name of N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine (CID 112751145) is N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine.
What is the SMILES notation for N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine?
The canonical SMILES for N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine is CN1CCC(CN(C)Cc2ccnc(Cl)n2)CC1.
What is the InChIKey of N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine?
The InChIKey is VBWKOCICTXSHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-17-7-4-11(5-8-17)9-18(2)10-12-3-6-15-13(14)16-12/h3,6,11H,4-5,7-10H2,1-2H3.
What are the key properties of N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine?
N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine has a molecular weight of 268.79 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine is sourced from PubChem (CID 112751145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).