N-(5-chloropentyl)-N-methylpyrimidin-4-amine

C10H16ClN3 — CID 107205392

IUPACN-(5-chloropentyl)-N-methylpyrimidin-4-amine
SMILESCN(CCCCCCl)c1ccncn1
InChIInChI=1S/C10H16ClN3/c1-14(8-4-2-3-6-11)10-5-7-12-9-13-10/h5,7,9H,2-4,6,8H2,1H3
InChIKeyXTMBWESUTUKNLA-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.32
Rot. Bonds6

About N-(5-chloropentyl)-N-methylpyrimidin-4-amine

N-(5-chloropentyl)-N-methylpyrimidin-4-amine (PubChem CID 107205392) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is N-(5-chloropentyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-chloropentyl)-N-methylpyrimidin-4-amine
PubChem CID107205392
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC NameN-(5-chloropentyl)-N-methylpyrimidin-4-amine
SMILESCN(CCCCCCl)c1ccncn1
InChIInChI=1S/C10H16ClN3/c1-14(8-4-2-3-6-11)10-5-7-12-9-13-10/h5,7,9H,2-4,6,8H2,1H3
InChIKeyXTMBWESUTUKNLA-UHFFFAOYSA-N
XLogP2.32
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloropentyl)-N-methylpyridin-4-amine
CID 107205359
N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidin-4-amine
CID 72881255
N-(2-chloroethyl)-N-propylpyrimidin-4-amine
CID 63392396
3-bromo-N-(5-chloropentyl)-N-methylpyridin-4-amine
CID 107205426
1-[methyl(pyrimidin-4-yl)amino]propan-2-ol
CID 62332971
5-bromo-N-(5-chloropentyl)-N-methylpyrimidin-4-amine
CID 107205369
N-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine
CID 63266299
N,N',2-trimethyl-N'-pyrimidin-4-ylpropane-1,3-diamine
CID 106918163
3-chloro-N-(5-chloropentyl)-N-methylpyridin-2-amine
CID 107205302
1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyrimidin-4-ylurea
CID 23349868
N-[(3-aminophenyl)methyl]-N-methylpyrimidin-4-amine
CID 61253794
N'-pentan-3-yl-N'-pyrimidin-4-ylethane-1,2-diamine
CID 63759066

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-N-methylpyrimidin-4-amine?
The IUPAC name of N-(5-chloropentyl)-N-methylpyrimidin-4-amine (CID 107205392) is N-(5-chloropentyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-(5-chloropentyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for N-(5-chloropentyl)-N-methylpyrimidin-4-amine is CN(CCCCCCl)c1ccncn1.
What is the InChIKey of N-(5-chloropentyl)-N-methylpyrimidin-4-amine?
The InChIKey is XTMBWESUTUKNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-14(8-4-2-3-6-11)10-5-7-12-9-13-10/h5,7,9H,2-4,6,8H2,1H3.
What are the key properties of N-(5-chloropentyl)-N-methylpyrimidin-4-amine?
N-(5-chloropentyl)-N-methylpyrimidin-4-amine has a molecular weight of 213.71 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 107205392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).