2-N-(3-cyclopentyloxypropyl)-4-N-methylpyrimidine-2,4-diamine

C13H22N4O — CID 122572139

IUPAC2-N-(3-cyclopentyloxypropyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1ccnc(NCCCOC2CCCC2)n1
InChIInChI=1S/C13H22N4O/c1-14-12-7-9-16-13(17-12)15-8-4-10-18-11-5-2-3-6-11/h7,9,11H,2-6,8,10H2,1H3,(H2,14,15,16,17)
InChIKeyNGOCQJKDTMLLRI-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.28
Rot. Bonds7

About 2-N-(3-cyclopentyloxypropyl)-4-N-methylpyrimidine-2,4-diamine

2-N-(3-cyclopentyloxypropyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 122572139) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-N-(3-cyclopentyloxypropyl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-cyclopentyloxypropyl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID122572139
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-N-(3-cyclopentyloxypropyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1ccnc(NCCCOC2CCCC2)n1
InChIInChI=1S/C13H22N4O/c1-14-12-7-9-16-13(17-12)15-8-4-10-18-11-5-2-3-6-11/h7,9,11H,2-6,8,10H2,1H3,(H2,14,15,16,17)
InChIKeyNGOCQJKDTMLLRI-UHFFFAOYSA-N
XLogP2.28
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3-methoxy-2,2-dimethylpropyl)pyrimidine-2,4-diamine
CID 122536475
3-[(2-Aminopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366516
2-(Pentyloxy)pyrimidin-4-amine
CID 308511
2-Propoxypyrimidin-4-amine
CID 308515
N-(oxan-4-yl)pyrimidin-2-amine
CID 43610313
N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 61253199
4-[(3R)-3-Aminopyrrolidin-1-yl]-N-(tetrahydro-2H-pyran-4-yl)pyrimidin-2-amine
CID 58227346
2-(4-Methoxypiperidin-1-yl)pyrimidin-4-amine
CID 90176595
2-(Octyloxy)pyrimidin-4-amine
CID 308579
N~4~-ethyl-N~2~-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine
CID 50969566
N~2~-{[4-(dimethylamino)tetrahydro-2H-pyran-4-yl]methyl}-N~4~-ethylpyrimidine-2,4-diamine
CID 50980405
N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine
CID 71996255

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-cyclopentyloxypropyl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-cyclopentyloxypropyl)-4-N-methylpyrimidine-2,4-diamine (CID 122572139) is 2-N-(3-cyclopentyloxypropyl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-cyclopentyloxypropyl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-cyclopentyloxypropyl)-4-N-methylpyrimidine-2,4-diamine is CNc1ccnc(NCCCOC2CCCC2)n1.
What is the InChIKey of 2-N-(3-cyclopentyloxypropyl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is NGOCQJKDTMLLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-14-12-7-9-16-13(17-12)15-8-4-10-18-11-5-2-3-6-11/h7,9,11H,2-6,8,10H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-N-(3-cyclopentyloxypropyl)-4-N-methylpyrimidine-2,4-diamine?
2-N-(3-cyclopentyloxypropyl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 250.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-cyclopentyloxypropyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 122572139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).