1-methyl-N-propyl-4H-pyrimidin-2-amine

C8H15N3 — CID 142006677

IUPAC1-methyl-N-propyl-4H-pyrimidin-2-amine
SMILESCCCNC1=NCC=CN1C
InChIInChI=1S/C8H15N3/c1-3-5-9-8-10-6-4-7-11(8)2/h4,7H,3,5-6H2,1-2H3,(H,9,10)
InChIKeyPNDJGLUCZKMCHV-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.80
Rot. Bonds2

About 1-methyl-N-propyl-4H-pyrimidin-2-amine

1-methyl-N-propyl-4H-pyrimidin-2-amine (PubChem CID 142006677) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-methyl-N-propyl-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name1-methyl-N-propyl-4H-pyrimidin-2-amine
PubChem CID142006677
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-methyl-N-propyl-4H-pyrimidin-2-amine
SMILESCCCNC1=NCC=CN1C
InChIInChI=1S/C8H15N3/c1-3-5-9-8-10-6-4-7-11(8)2/h4,7H,3,5-6H2,1-2H3,(H,9,10)
InChIKeyPNDJGLUCZKMCHV-UHFFFAOYSA-N
XLogP0.80
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-propyl-4H-pyrimidin-2-amine?
The IUPAC name of 1-methyl-N-propyl-4H-pyrimidin-2-amine (CID 142006677) is 1-methyl-N-propyl-4H-pyrimidin-2-amine.
What is the SMILES notation for 1-methyl-N-propyl-4H-pyrimidin-2-amine?
The canonical SMILES for 1-methyl-N-propyl-4H-pyrimidin-2-amine is CCCNC1=NCC=CN1C.
What is the InChIKey of 1-methyl-N-propyl-4H-pyrimidin-2-amine?
The InChIKey is PNDJGLUCZKMCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-5-9-8-10-6-4-7-11(8)2/h4,7H,3,5-6H2,1-2H3,(H,9,10).
What are the key properties of 1-methyl-N-propyl-4H-pyrimidin-2-amine?
1-methyl-N-propyl-4H-pyrimidin-2-amine has a molecular weight of 153.23 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-propyl-4H-pyrimidin-2-amine is sourced from PubChem (CID 142006677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).