2-cyclopropyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1,2-diamine

C12H20N4O — CID 112635108

IUPAC2-cyclopropyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1,2-diamine
SMILESCOc1cc(C)nc(NC(C)(CN)C2CC2)n1
InChIInChI=1S/C12H20N4O/c1-8-6-10(17-3)15-11(14-8)16-12(2,7-13)9-4-5-9/h6,9H,4-5,7,13H2,1-3H3,(H,14,15,16)
InChIKeyGYDJICGISBMWNZ-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.33
Rot. Bonds5

About 2-cyclopropyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1,2-diamine

2-cyclopropyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1,2-diamine (PubChem CID 112635108) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1,2-diamine
PubChem CID112635108
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-cyclopropyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1,2-diamine
SMILESCOc1cc(C)nc(NC(C)(CN)C2CC2)n1
InChIInChI=1S/C12H20N4O/c1-8-6-10(17-3)15-11(14-8)16-12(2,7-13)9-4-5-9/h6,9H,4-5,7,13H2,1-3H3,(H,14,15,16)
InChIKeyGYDJICGISBMWNZ-UHFFFAOYSA-N
XLogP1.33
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.33
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-ethyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1,2-diamine
CID 112634927
2-cyclopropyl-2-N-(4-methylpyrimidin-2-yl)propane-1,2-diamine
CID 115308174
4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine
CID 112637620
N-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 115973571
2-cyclopropyl-2-N-(4-propoxypyrimidin-2-yl)propane-1,2-diamine
CID 112638834
4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide
CID 112636843
N-(dicyclopropylmethyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 112691713
2-cyclopropyl-2-N-(6-methylpyrimidin-4-yl)propane-1,2-diamine
CID 115308091
4-methoxy-6-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 107413883
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide
CID 112691754
1-N-(4-methoxy-6-methylpyrimidin-2-yl)cyclobutane-1,3-diamine
CID 112634754

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1,2-diamine (CID 112635108) is 2-cyclopropyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1,2-diamine is COc1cc(C)nc(NC(C)(CN)C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1,2-diamine?
The InChIKey is GYDJICGISBMWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-6-10(17-3)15-11(14-8)16-12(2,7-13)9-4-5-9/h6,9H,4-5,7,13H2,1-3H3,(H,14,15,16).
What are the key properties of 2-cyclopropyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1,2-diamine?
2-cyclopropyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)propane-1,2-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.33, 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-methoxy-6-methylpyrimidin-2-yl)propane-1,2-diamine is sourced from PubChem (CID 112635108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).