2-cyclopropyl-2-N-(4-propoxypyrimidin-2-yl)propane-1,2-diamine

C13H22N4O — CID 112638834

IUPAC2-cyclopropyl-2-N-(4-propoxypyrimidin-2-yl)propane-1,2-diamine
SMILESCCCOc1ccnc(NC(C)(CN)C2CC2)n1
InChIInChI=1S/C13H22N4O/c1-3-8-18-11-6-7-15-12(16-11)17-13(2,9-14)10-4-5-10/h6-7,10H,3-5,8-9,14H2,1-2H3,(H,15,16,17)
InChIKeyPSIDGVHCTRRPSD-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.80
Rot. Bonds7

About 2-cyclopropyl-2-N-(4-propoxypyrimidin-2-yl)propane-1,2-diamine

2-cyclopropyl-2-N-(4-propoxypyrimidin-2-yl)propane-1,2-diamine (PubChem CID 112638834) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-N-(4-propoxypyrimidin-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-2-N-(4-propoxypyrimidin-2-yl)propane-1,2-diamine
PubChem CID112638834
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-cyclopropyl-2-N-(4-propoxypyrimidin-2-yl)propane-1,2-diamine
SMILESCCCOc1ccnc(NC(C)(CN)C2CC2)n1
InChIInChI=1S/C13H22N4O/c1-3-8-18-11-6-7-15-12(16-11)17-13(2,9-14)10-4-5-10/h6-7,10H,3-5,8-9,14H2,1-2H3,(H,15,16,17)
InChIKeyPSIDGVHCTRRPSD-UHFFFAOYSA-N
XLogP1.80
TPSA73.06 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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-2-N-(4-methoxypyrimidin-2-yl)propane-1,2-diamine
CID 115308062
2-cyclopropyl-2-N-(4-methylpyrimidin-2-yl)propane-1,2-diamine
CID 115308174
N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine
CID 106012839
N-[2-(4-aminocyclohexyl)oxyethyl]-4-propoxypyrimidin-2-amine
CID 115975400
3-methyl-3-[(4-propoxypyrimidin-2-yl)amino]butanamide
CID 106097009
1-cyclopentyl-N-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 106738126
N-(2,2-dimethylheptyl)-4-propoxypyrimidin-2-amine
CID 115975266
4-butoxy-N-ethylpyrimidin-2-amine
CID 80865329
2-cyclopropyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1,2-diamine
CID 112635108
N-(2,2-dimethylcyclopentyl)-4-propoxypyrimidin-2-amine
CID 112638202
N-[[1-(aminomethyl)cyclohexyl]methyl]-4-propoxypyrimidin-2-amine
CID 103970456
4-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-2-amine
CID 112638177

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-N-(4-propoxypyrimidin-2-yl)propane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-2-N-(4-propoxypyrimidin-2-yl)propane-1,2-diamine (CID 112638834) is 2-cyclopropyl-2-N-(4-propoxypyrimidin-2-yl)propane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-2-N-(4-propoxypyrimidin-2-yl)propane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-2-N-(4-propoxypyrimidin-2-yl)propane-1,2-diamine is CCCOc1ccnc(NC(C)(CN)C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-2-N-(4-propoxypyrimidin-2-yl)propane-1,2-diamine?
The InChIKey is PSIDGVHCTRRPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-8-18-11-6-7-15-12(16-11)17-13(2,9-14)10-4-5-10/h6-7,10H,3-5,8-9,14H2,1-2H3,(H,15,16,17).
What are the key properties of 2-cyclopropyl-2-N-(4-propoxypyrimidin-2-yl)propane-1,2-diamine?
2-cyclopropyl-2-N-(4-propoxypyrimidin-2-yl)propane-1,2-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-N-(4-propoxypyrimidin-2-yl)propane-1,2-diamine is sourced from PubChem (CID 112638834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).