N-(4-chloropentyl)pyrimidin-4-amine

C9H14ClN3 — CID 106124684

IUPACN-(4-chloropentyl)pyrimidin-4-amine
SMILESCC(Cl)CCCNc1ccncn1
InChIInChI=1S/C9H14ClN3/c1-8(10)3-2-5-12-9-4-6-11-7-13-9/h4,6-8H,2-3,5H2,1H3,(H,11,12,13)
InChIKeyIFQPQUWUDAQLED-UHFFFAOYSA-N
MW199.69 g/mol
LogP2.30
Rot. Bonds5

About N-(4-chloropentyl)pyrimidin-4-amine

N-(4-chloropentyl)pyrimidin-4-amine (PubChem CID 106124684) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is N-(4-chloropentyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chloropentyl)pyrimidin-4-amine
PubChem CID106124684
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC NameN-(4-chloropentyl)pyrimidin-4-amine
SMILESCC(Cl)CCCNc1ccncn1
InChIInChI=1S/C9H14ClN3/c1-8(10)3-2-5-12-9-4-6-11-7-13-9/h4,6-8H,2-3,5H2,1H3,(H,11,12,13)
InChIKeyIFQPQUWUDAQLED-UHFFFAOYSA-N
XLogP2.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 52.30
H-Bond Donors ≤ 51
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-(4-chloropentyl)-5-methylpyridin-2-amine
CID 106124548
N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 63966158
N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine
CID 62658944
N-(3-phenylbutyl)pyrimidin-4-amine
CID 55152180
6-(pyrimidin-4-ylamino)hexan-1-ol
CID 107848711
N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
CID 102914055
N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine
CID 97120157
N-(2-chloro-3-ethylpentyl)pyrimidin-4-amine
CID 106286880
2-methyl-N-pyrimidin-4-ylbutane-1,4-diamine
CID 66107458
ethane;N-ethylpyrimidin-4-amine
CID 167491074
N-(4-chlorobutan-2-yl)pyrimidin-4-amine
CID 83187601
N-(2-chloropentan-3-yl)pyrimidin-4-amine
CID 131162695

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropentyl)pyrimidin-4-amine?
The IUPAC name of N-(4-chloropentyl)pyrimidin-4-amine (CID 106124684) is N-(4-chloropentyl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-chloropentyl)pyrimidin-4-amine?
The canonical SMILES for N-(4-chloropentyl)pyrimidin-4-amine is CC(Cl)CCCNc1ccncn1.
What is the InChIKey of N-(4-chloropentyl)pyrimidin-4-amine?
The InChIKey is IFQPQUWUDAQLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-8(10)3-2-5-12-9-4-6-11-7-13-9/h4,6-8H,2-3,5H2,1H3,(H,11,12,13).
What are the key properties of N-(4-chloropentyl)pyrimidin-4-amine?
N-(4-chloropentyl)pyrimidin-4-amine has a molecular weight of 199.69 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropentyl)pyrimidin-4-amine is sourced from PubChem (CID 106124684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).