5-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine

C12H19ClN4 — CID 102975963

IUPAC5-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine
SMILESCN1CCC(C)(CNc2ncncc2Cl)CC1
InChIInChI=1S/C12H19ClN4/c1-12(3-5-17(2)6-4-12)8-15-11-10(13)7-14-9-16-11/h7,9H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyQVNPCLJZPQZFIG-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.27
Rot. Bonds3

About 5-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine

5-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine (PubChem CID 102975963) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 5-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine
PubChem CID102975963
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name5-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine
SMILESCN1CCC(C)(CNc2ncncc2Cl)CC1
InChIInChI=1S/C12H19ClN4/c1-12(3-5-17(2)6-4-12)8-15-11-10(13)7-14-9-16-11/h7,9H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyQVNPCLJZPQZFIG-UHFFFAOYSA-N
XLogP2.27
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1,4-dimethylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylic acid
CID 114214734
5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine
CID 105369215
5-chloro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-4-amine
CID 130890848
5-bromo-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 66341035
4,5-dichloro-2-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzene-1,2-diamine
CID 107163015
2-[1-[[(5-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
CID 105369731
5-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrimidin-4-amine
CID 102975885
5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 105369328
4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-propoxypyrimidine-4,5-diamine
CID 107163063
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 107164406
3-[(1,4-dimethylpiperidin-4-yl)methylamino]pyrazine-2-carbonitrile
CID 113362481
6-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid
CID 107164247

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine (CID 102975963) is 5-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine is CN1CCC(C)(CNc2ncncc2Cl)CC1.
What is the InChIKey of 5-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is QVNPCLJZPQZFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-12(3-5-17(2)6-4-12)8-15-11-10(13)7-14-9-16-11/h7,9H,3-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of 5-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine?
5-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 254.76 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 102975963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).