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

C11H18N4 — CID 115308091

IUPAC2-cyclopropyl-2-N-(6-methylpyrimidin-4-yl)propane-1,2-diamine
SMILESCc1cc(NC(C)(CN)C2CC2)ncn1
InChIInChI=1S/C11H18N4/c1-8-5-10(14-7-13-8)15-11(2,6-12)9-3-4-9/h5,7,9H,3-4,6,12H2,1-2H3,(H,13,14,15)
InChIKeyCMLRTQCQRNEUKC-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.32
Rot. Bonds4

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

2-cyclopropyl-2-N-(6-methylpyrimidin-4-yl)propane-1,2-diamine (PubChem CID 115308091) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-N-(6-methylpyrimidin-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-2-N-(6-methylpyrimidin-4-yl)propane-1,2-diamine
PubChem CID115308091
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2-cyclopropyl-2-N-(6-methylpyrimidin-4-yl)propane-1,2-diamine
SMILESCc1cc(NC(C)(CN)C2CC2)ncn1
InChIInChI=1S/C11H18N4/c1-8-5-10(14-7-13-8)15-11(2,6-12)9-3-4-9/h5,7,9H,3-4,6,12H2,1-2H3,(H,13,14,15)
InChIKeyCMLRTQCQRNEUKC-UHFFFAOYSA-N
XLogP1.32
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-N-(6-methylpyrimidin-4-yl)propane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-2-N-(6-methylpyrimidin-4-yl)propane-1,2-diamine (CID 115308091) is 2-cyclopropyl-2-N-(6-methylpyrimidin-4-yl)propane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-2-N-(6-methylpyrimidin-4-yl)propane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-2-N-(6-methylpyrimidin-4-yl)propane-1,2-diamine is Cc1cc(NC(C)(CN)C2CC2)ncn1.
What is the InChIKey of 2-cyclopropyl-2-N-(6-methylpyrimidin-4-yl)propane-1,2-diamine?
The InChIKey is CMLRTQCQRNEUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-8-5-10(14-7-13-8)15-11(2,6-12)9-3-4-9/h5,7,9H,3-4,6,12H2,1-2H3,(H,13,14,15).
What are the key properties of 2-cyclopropyl-2-N-(6-methylpyrimidin-4-yl)propane-1,2-diamine?
2-cyclopropyl-2-N-(6-methylpyrimidin-4-yl)propane-1,2-diamine has a molecular weight of 206.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-N-(6-methylpyrimidin-4-yl)propane-1,2-diamine is sourced from PubChem (CID 115308091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).