N-(cyclopentylmethyl)-6-hydrazinyl-2-propylpyrimidin-4-amine

C13H23N5 — CID 80947878

IUPACN-(cyclopentylmethyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(NCC2CCCC2)n1
InChIInChI=1S/C13H23N5/c1-2-5-11-16-12(8-13(17-11)18-14)15-9-10-6-3-4-7-10/h8,10H,2-7,9,14H2,1H3,(H2,15,16,17,18)
InChIKeyFWXNFFVNBBUNHG-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.32
Rot. Bonds6

About N-(cyclopentylmethyl)-6-hydrazinyl-2-propylpyrimidin-4-amine

N-(cyclopentylmethyl)-6-hydrazinyl-2-propylpyrimidin-4-amine (PubChem CID 80947878) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-6-hydrazinyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
PubChem CID80947878
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-(cyclopentylmethyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(NCC2CCCC2)n1
InChIInChI=1S/C13H23N5/c1-2-5-11-16-12(8-13(17-11)18-14)15-9-10-6-3-4-7-10/h8,10H,2-7,9,14H2,1H3,(H2,15,16,17,18)
InChIKeyFWXNFFVNBBUNHG-UHFFFAOYSA-N
XLogP2.32
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(cyclohexylmethyl)-2-propylpyrimidin-4-amine
CID 80940255
6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]-2-propylpyrimidin-4-amine
CID 80947634
N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947458
6-hydrazinyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 80946656
6-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]-2-propylpyrimidin-4-amine
CID 80942828
6-N-methyl-4-N-[(4-methylcyclohexyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80950301
2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinylpyrimidin-4-amine
CID 80964314
4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933194
N-(cyclopentylmethyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775333
4-N-(2-cyclopentylethyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80955141
4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80783942
4-N-(cyclopentylmethyl)-2-ethylpyrimidine-4,6-diamine
CID 80933112

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-6-hydrazinyl-2-propylpyrimidin-4-amine?
The IUPAC name of N-(cyclopentylmethyl)-6-hydrazinyl-2-propylpyrimidin-4-amine (CID 80947878) is N-(cyclopentylmethyl)-6-hydrazinyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-6-hydrazinyl-2-propylpyrimidin-4-amine?
The canonical SMILES for N-(cyclopentylmethyl)-6-hydrazinyl-2-propylpyrimidin-4-amine is CCCc1nc(NN)cc(NCC2CCCC2)n1.
What is the InChIKey of N-(cyclopentylmethyl)-6-hydrazinyl-2-propylpyrimidin-4-amine?
The InChIKey is FWXNFFVNBBUNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-2-5-11-16-12(8-13(17-11)18-14)15-9-10-6-3-4-7-10/h8,10H,2-7,9,14H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(cyclopentylmethyl)-6-hydrazinyl-2-propylpyrimidin-4-amine?
N-(cyclopentylmethyl)-6-hydrazinyl-2-propylpyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-6-hydrazinyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80947878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).