5-(aminomethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine

C13H22N4 — CID 83185973

IUPAC5-(aminomethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCc1nc(N(CC(C)C)C2CC2)ncc1CN
InChIInChI=1S/C13H22N4/c1-9(2)8-17(12-4-5-12)13-15-7-11(6-14)10(3)16-13/h7,9,12H,4-6,8,14H2,1-3H3
InChIKeyBSUMLAASPPYNPY-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.87
Rot. Bonds5

About 5-(aminomethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine

5-(aminomethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine (PubChem CID 83185973) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 5-(aminomethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine
PubChem CID83185973
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name5-(aminomethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCc1nc(N(CC(C)C)C2CC2)ncc1CN
InChIInChI=1S/C13H22N4/c1-9(2)8-17(12-4-5-12)13-15-7-11(6-14)10(3)16-13/h7,9,12H,4-6,8,14H2,1-3H3
InChIKeyBSUMLAASPPYNPY-UHFFFAOYSA-N
XLogP1.87
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine?
The IUPAC name of 5-(aminomethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine (CID 83185973) is 5-(aminomethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine is Cc1nc(N(CC(C)C)C2CC2)ncc1CN.
What is the InChIKey of 5-(aminomethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine?
The InChIKey is BSUMLAASPPYNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9(2)8-17(12-4-5-12)13-15-7-11(6-14)10(3)16-13/h7,9,12H,4-6,8,14H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine?
5-(aminomethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 83185973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).