N-(5-chloro-4-methylpentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C13H20ClN3 — CID 106154550

IUPACN-(5-chloro-4-methylpentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCC(CCl)CCCNc1ncnc2c1CCC2
InChIInChI=1S/C13H20ClN3/c1-10(8-14)4-3-7-15-13-11-5-2-6-12(11)16-9-17-13/h9-10H,2-8H2,1H3,(H,15,16,17)
InChIKeyIVVWLCHWWQPZMH-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.03
Rot. Bonds6

About N-(5-chloro-4-methylpentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-(5-chloro-4-methylpentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 106154550) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is N-(5-chloro-4-methylpentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-4-methylpentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID106154550
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC NameN-(5-chloro-4-methylpentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCC(CCl)CCCNc1ncnc2c1CCC2
InChIInChI=1S/C13H20ClN3/c1-10(8-14)4-3-7-15-13-11-5-2-6-12(11)16-9-17-13/h9-10H,2-8H2,1H3,(H,15,16,17)
InChIKeyIVVWLCHWWQPZMH-UHFFFAOYSA-N
XLogP3.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.03
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

2-methyl-5-(5,6,7,8-tetrahydroquinazolin-4-ylamino)pentan-1-ol
CID 103858517
N-hexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184554
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol
CID 62833155
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)butan-1-ol
CID 106842608
N-(5-chloro-4-methylpentyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 106154753
N-(3-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55121312
N-(2-chloro-3-methylbutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 113492831
N-(3-phenoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62832621
N-(2-butoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55121460
N-(5-methoxypentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 103827520
N-(5,5,5-trifluoropentyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 115486566
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoic acid
CID 62833489

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methylpentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-(5-chloro-4-methylpentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 106154550) is N-(5-chloro-4-methylpentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-(5-chloro-4-methylpentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-(5-chloro-4-methylpentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CC(CCl)CCCNc1ncnc2c1CCC2.
What is the InChIKey of N-(5-chloro-4-methylpentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is IVVWLCHWWQPZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-10(8-14)4-3-7-15-13-11-5-2-6-12(11)16-9-17-13/h9-10H,2-8H2,1H3,(H,15,16,17).
What are the key properties of N-(5-chloro-4-methylpentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-(5-chloro-4-methylpentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 253.78 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methylpentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 106154550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).