4-methyl-1-pyrimidin-5-ylpentan-2-amine

C10H17N3 — CID 62753193

IUPAC4-methyl-1-pyrimidin-5-ylpentan-2-amine
SMILESCC(C)CC(N)Cc1cncnc1
InChIInChI=1S/C10H17N3/c1-8(2)3-10(11)4-9-5-12-7-13-6-9/h5-8,10H,3-4,11H2,1-2H3
InChIKeyDJUVMCJHXTXOHP-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.39
Rot. Bonds4

About 4-methyl-1-pyrimidin-5-ylpentan-2-amine

4-methyl-1-pyrimidin-5-ylpentan-2-amine (PubChem CID 62753193) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 4-methyl-1-pyrimidin-5-ylpentan-2-amine.

Molecular Properties

Compound Name4-methyl-1-pyrimidin-5-ylpentan-2-amine
PubChem CID62753193
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name4-methyl-1-pyrimidin-5-ylpentan-2-amine
SMILESCC(C)CC(N)Cc1cncnc1
InChIInChI=1S/C10H17N3/c1-8(2)3-10(11)4-9-5-12-7-13-6-9/h5-8,10H,3-4,11H2,1-2H3
InChIKeyDJUVMCJHXTXOHP-UHFFFAOYSA-N
XLogP1.39
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-5-propylpyrimidine
CID 2735784
2-Chloro-5-pentylpyrimidine
CID 16756526
5-Cyclohexylpyrimidin-2-amine
CID 13163993
3-(Pyrimidin-5-yl)propan-1-amine
CID 15703007
2-Chloro-5-decylpyrimidine
CID 22099083
5-(Piperidin-4-yl)pyrimidine
CID 24904194
2-(Pyrimidin-5-yl)ethan-1-amine
CID 27281450
5-Butyl-2-pyrimidinamine
CID 45071698
5-Cyclopropylpyrimidin-2-amine
CID 45080433
5-Pyrimidinepropanamine hydrochloride (1:1)
CID 122235941
2-Pyrimidin-5-yl-7-azabicyclo[2.2.1]heptane
CID 49823864
5-Butylpyrimidine
CID 18952838

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pyrimidin-5-ylpentan-2-amine?
The IUPAC name of 4-methyl-1-pyrimidin-5-ylpentan-2-amine (CID 62753193) is 4-methyl-1-pyrimidin-5-ylpentan-2-amine.
What is the SMILES notation for 4-methyl-1-pyrimidin-5-ylpentan-2-amine?
The canonical SMILES for 4-methyl-1-pyrimidin-5-ylpentan-2-amine is CC(C)CC(N)Cc1cncnc1.
What is the InChIKey of 4-methyl-1-pyrimidin-5-ylpentan-2-amine?
The InChIKey is DJUVMCJHXTXOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8(2)3-10(11)4-9-5-12-7-13-6-9/h5-8,10H,3-4,11H2,1-2H3.
What are the key properties of 4-methyl-1-pyrimidin-5-ylpentan-2-amine?
4-methyl-1-pyrimidin-5-ylpentan-2-amine has a molecular weight of 179.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pyrimidin-5-ylpentan-2-amine is sourced from PubChem (CID 62753193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).