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

C11H18N4O — CID 115308062

IUPAC2-cyclopropyl-2-N-(4-methoxypyrimidin-2-yl)propane-1,2-diamine
SMILESCOc1ccnc(NC(C)(CN)C2CC2)n1
InChIInChI=1S/C11H18N4O/c1-11(7-12,8-3-4-8)15-10-13-6-5-9(14-10)16-2/h5-6,8H,3-4,7,12H2,1-2H3,(H,13,14,15)
InChIKeyPZPBAYSRPZCLIE-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.02
Rot. Bonds5

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

2-cyclopropyl-2-N-(4-methoxypyrimidin-2-yl)propane-1,2-diamine (PubChem CID 115308062) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-N-(4-methoxypyrimidin-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-2-N-(4-methoxypyrimidin-2-yl)propane-1,2-diamine
PubChem CID115308062
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-cyclopropyl-2-N-(4-methoxypyrimidin-2-yl)propane-1,2-diamine
SMILESCOc1ccnc(NC(C)(CN)C2CC2)n1
InChIInChI=1S/C11H18N4O/c1-11(7-12,8-3-4-8)15-10-13-6-5-9(14-10)16-2/h5-6,8H,3-4,7,12H2,1-2H3,(H,13,14,15)
InChIKeyPZPBAYSRPZCLIE-UHFFFAOYSA-N
XLogP1.02
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-2-N-(4-propoxypyrimidin-2-yl)propane-1,2-diamine
CID 112638834
2-cyclopropyl-2-N-(4-methylpyrimidin-2-yl)propane-1,2-diamine
CID 115308174
2-cyclopropyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1,2-diamine
CID 112635108
N-(cyclopentylmethyl)-4-methoxypyrimidin-2-amine
CID 112684482
2-cyclopropyl-2-N-(6-methoxyisoquinolin-1-yl)propane-1,2-diamine
CID 106540980
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxypyrimidin-2-amine
CID 115457088
4-methoxy-N-(2-methoxy-2-methylpropyl)pyrimidin-2-amine
CID 115658463
N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine
CID 131107592
2-cyclopropyl-2-N-(3-methylpyrazin-2-yl)propane-1,2-diamine
CID 83064092
2-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentanoic acid
CID 43619335
4-methoxy-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 107413823

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-N-(4-methoxypyrimidin-2-yl)propane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-2-N-(4-methoxypyrimidin-2-yl)propane-1,2-diamine (CID 115308062) is 2-cyclopropyl-2-N-(4-methoxypyrimidin-2-yl)propane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-2-N-(4-methoxypyrimidin-2-yl)propane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-2-N-(4-methoxypyrimidin-2-yl)propane-1,2-diamine is COc1ccnc(NC(C)(CN)C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-2-N-(4-methoxypyrimidin-2-yl)propane-1,2-diamine?
The InChIKey is PZPBAYSRPZCLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(7-12,8-3-4-8)15-10-13-6-5-9(14-10)16-2/h5-6,8H,3-4,7,12H2,1-2H3,(H,13,14,15).
What are the key properties of 2-cyclopropyl-2-N-(4-methoxypyrimidin-2-yl)propane-1,2-diamine?
2-cyclopropyl-2-N-(4-methoxypyrimidin-2-yl)propane-1,2-diamine has a molecular weight of 222.29 g/mol, XLogP of 1.02, 5 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-methoxypyrimidin-2-yl)propane-1,2-diamine is sourced from PubChem (CID 115308062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).