N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine

C12H21N5O — CID 114542332

IUPACN-(3,3-dimethylcyclopentyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine
SMILESCOc1c(NN)ncnc1NC1CCC(C)(C)C1
InChIInChI=1S/C12H21N5O/c1-12(2)5-4-8(6-12)16-10-9(18-3)11(17-13)15-7-14-10/h7-8H,4-6,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyIPPZTCNRZLPVNI-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.76
Rot. Bonds4

About N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine

N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine (PubChem CID 114542332) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine
PubChem CID114542332
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-(3,3-dimethylcyclopentyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine
SMILESCOc1c(NN)ncnc1NC1CCC(C)(C)C1
InChIInChI=1S/C12H21N5O/c1-12(2)5-4-8(6-12)16-10-9(18-3)11(17-13)15-7-14-10/h7-8H,4-6,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyIPPZTCNRZLPVNI-UHFFFAOYSA-N
XLogP1.76
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-hydrazinyl-5-methoxy-N-(3-methylcyclopentyl)pyrimidin-4-amine
CID 114542288
5-chloro-4-N-(3,3-dimethylcyclopentyl)pyrimidine-4,6-diamine
CID 106812350
4-N-(3,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine
CID 114542173
3-N-(3,3-dimethylcyclopentyl)pyrazine-2,3-diamine
CID 103883799
4-N-(2,2-dimethyloxan-4-yl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine
CID 83039257
N-(3,3-dimethylcyclopentyl)isoquinolin-1-amine
CID 114548093
N-(3,3-dimethylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine
CID 115880973
5-chloro-4-N-(3,3-dimethylcyclohexyl)pyrimidine-4,6-diamine
CID 106812467
5-N-(3,3-dimethylcyclopentyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103384519
N-cyclopropyl-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80932555
3-[(3,3-dimethylcyclopentyl)amino]-1H-pyrazin-2-one
CID 115880977
2-N-(3,3-dimethylcyclopentyl)-3-methylpyridine-2,5-diamine
CID 114543290

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine (CID 114542332) is N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine is COc1c(NN)ncnc1NC1CCC(C)(C)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine?
The InChIKey is IPPZTCNRZLPVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-12(2)5-4-8(6-12)16-10-9(18-3)11(17-13)15-7-14-10/h7-8H,4-6,13H2,1-3H3,(H2,14,15,16,17).
What are the key properties of N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine?
N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine has a molecular weight of 251.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine is sourced from PubChem (CID 114542332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).