N-[(4-cyclopropylpyrimidin-2-yl)methyl]cyclopropanamine

C11H15N3 — CID 63318876

IUPACN-[(4-cyclopropylpyrimidin-2-yl)methyl]cyclopropanamine
SMILESc1cc(C2CC2)nc(CNC2CC2)n1
InChIInChI=1S/C11H15N3/c1-2-8(1)10-5-6-12-11(14-10)7-13-9-3-4-9/h5-6,8-9,13H,1-4,7H2
InChIKeyPZSGISAJUBYSQR-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.61
Rot. Bonds4

About N-[(4-cyclopropylpyrimidin-2-yl)methyl]cyclopropanamine

N-[(4-cyclopropylpyrimidin-2-yl)methyl]cyclopropanamine (PubChem CID 63318876) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is N-[(4-cyclopropylpyrimidin-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-cyclopropylpyrimidin-2-yl)methyl]cyclopropanamine
PubChem CID63318876
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC NameN-[(4-cyclopropylpyrimidin-2-yl)methyl]cyclopropanamine
SMILESc1cc(C2CC2)nc(CNC2CC2)n1
InChIInChI=1S/C11H15N3/c1-2-8(1)10-5-6-12-11(14-10)7-13-9-3-4-9/h5-6,8-9,13H,1-4,7H2
InChIKeyPZSGISAJUBYSQR-UHFFFAOYSA-N
XLogP1.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid
CID 84664586
N-[[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]methyl]cyclopropanamine
CID 116898651
N-[[4-(2-fluorophenyl)pyrimidin-2-yl]methyl]cyclopropanamine
CID 116898661
N-[(4-cyclohexylpyrimidin-2-yl)methyl]propan-2-amine
CID 63318874
4-cyclopropyl-2-(2-methylpropyl)pyrimidine
CID 70659268
(4-cyclopentylpyrimidin-2-yl)methanol
CID 116899510
N-[[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]methyl]cyclopropanamine
CID 116898658
N-[[4-(1,3-benzoxazol-6-yl)pyrimidin-2-yl]methyl]cyclopropanamine
CID 116898654
N-[[2-(2-phenylethyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 62749177
N-[(2-cyclohexylpyrimidin-4-yl)methyl]cyclopropanamine
CID 55114202
2-(4-cyclohexylpyrimidin-2-yl)ethanol
CID 116899631
N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 62749345

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropylpyrimidin-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-cyclopropylpyrimidin-2-yl)methyl]cyclopropanamine (CID 63318876) is N-[(4-cyclopropylpyrimidin-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-cyclopropylpyrimidin-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-cyclopropylpyrimidin-2-yl)methyl]cyclopropanamine is c1cc(C2CC2)nc(CNC2CC2)n1.
What is the InChIKey of N-[(4-cyclopropylpyrimidin-2-yl)methyl]cyclopropanamine?
The InChIKey is PZSGISAJUBYSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-8(1)10-5-6-12-11(14-10)7-13-9-3-4-9/h5-6,8-9,13H,1-4,7H2.
What are the key properties of N-[(4-cyclopropylpyrimidin-2-yl)methyl]cyclopropanamine?
N-[(4-cyclopropylpyrimidin-2-yl)methyl]cyclopropanamine has a molecular weight of 189.26 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropylpyrimidin-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 63318876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).