6-methyl-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine

C12H19N3 — CID 103761666

IUPAC6-methyl-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCCCC1(CNc2cc(C)ncn2)CC1
InChIInChI=1S/C12H19N3/c1-3-4-12(5-6-12)8-13-11-7-10(2)14-9-15-11/h7,9H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyQNOJDPRDWGBJME-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.78
Rot. Bonds5

About 6-methyl-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine

6-methyl-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine (PubChem CID 103761666) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 6-methyl-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine
PubChem CID103761666
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name6-methyl-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCCCC1(CNc2cc(C)ncn2)CC1
InChIInChI=1S/C12H19N3/c1-3-4-12(5-6-12)8-13-11-7-10(2)14-9-15-11/h7,9H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyQNOJDPRDWGBJME-UHFFFAOYSA-N
XLogP2.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine (CID 103761666) is 6-methyl-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine is CCCC1(CNc2cc(C)ncn2)CC1.
What is the InChIKey of 6-methyl-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine?
The InChIKey is QNOJDPRDWGBJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-4-12(5-6-12)8-13-11-7-10(2)14-9-15-11/h7,9H,3-6,8H2,1-2H3,(H,13,14,15).
What are the key properties of 6-methyl-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine?
6-methyl-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine has a molecular weight of 205.31 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 103761666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).