2,5-dichloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine

C11H16Cl2N4 — CID 79632916

IUPAC2,5-dichloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
SMILESCN1CCCC(CNc2nc(Cl)ncc2Cl)C1
InChIInChI=1S/C11H16Cl2N4/c1-17-4-2-3-8(7-17)5-14-10-9(12)6-15-11(13)16-10/h6,8H,2-5,7H2,1H3,(H,14,15,16)
InChIKeyWQWUJVMBHGPWBE-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.54
Rot. Bonds3

About 2,5-dichloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine

2,5-dichloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine (PubChem CID 79632916) has the molecular formula C11H16Cl2N4 and a molecular weight of 275.18 g/mol. Its IUPAC name is 2,5-dichloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
PubChem CID79632916
Molecular FormulaC11H16Cl2N4
Molecular Weight275.18 g/mol
Exact Mass274.08
IUPAC Name2,5-dichloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
SMILESCN1CCCC(CNc2nc(Cl)ncc2Cl)C1
InChIInChI=1S/C11H16Cl2N4/c1-17-4-2-3-8(7-17)5-14-10-9(12)6-15-11(13)16-10/h6,8H,2-5,7H2,1H3,(H,14,15,16)
InChIKeyWQWUJVMBHGPWBE-UHFFFAOYSA-N
XLogP2.54
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-hydrazinyl-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 80903527
2,5-dichloro-N-(cyclohexylmethyl)pyrimidin-4-amine
CID 79633102
5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 105369328
3,5,6-trichloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine
CID 102750847
3,6-dichloro-N-[(1-methylpiperidin-3-yl)methyl]-1,2,4-triazin-5-amine
CID 81035942
3,5-dichloro-6-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,6-diamine
CID 102757522
2-chloro-N-[(1-methylpiperidin-3-yl)methyl]quinazolin-4-amine
CID 62475651
3-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-4-amine
CID 79840711
5-bromo-2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 80812505
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2,5-dichloropyrimidin-4-amine
CID 79633146
3,5-dichloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 60855947
5-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
CID 66279532

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine (CID 79632916) is 2,5-dichloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine is CN1CCCC(CNc2nc(Cl)ncc2Cl)C1.
What is the InChIKey of 2,5-dichloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is WQWUJVMBHGPWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N4/c1-17-4-2-3-8(7-17)5-14-10-9(12)6-15-11(13)16-10/h6,8H,2-5,7H2,1H3,(H,14,15,16).
What are the key properties of 2,5-dichloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine?
2,5-dichloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 275.18 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 79632916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).