2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine

C16H28N4 — CID 80657624

IUPAC2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(CN2CCCCCCC2)n1
InChIInChI=1S/C16H28N4/c1-3-9-17-15-12-14(2)18-16(19-15)13-20-10-7-5-4-6-8-11-20/h12H,3-11,13H2,1-2H3,(H,17,18,19)
InChIKeyNJICWAKTMRKVJY-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.37
Rot. Bonds5

About 2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine

2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 80657624) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine
PubChem CID80657624
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(CN2CCCCCCC2)n1
InChIInChI=1S/C16H28N4/c1-3-9-17-15-12-14(2)18-16(19-15)13-20-10-7-5-4-6-8-11-20/h12H,3-11,13H2,1-2H3,(H,17,18,19)
InChIKeyNJICWAKTMRKVJY-UHFFFAOYSA-N
XLogP3.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-propyl-2-(thiomorpholin-4-ylmethyl)pyrimidin-4-amine
CID 80657990
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80657242
1-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]azocan-2-one
CID 80663824
[2-(azocan-1-ylmethyl)-6-methylpyrimidin-4-yl]hydrazine
CID 80656209
2-[(3-methoxypiperidin-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 102966751
2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 81464110
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80934686
6-methyl-N-propyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-amine
CID 80654333
2-[(4,5-dimethylimidazol-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80654507
N-ethyl-6-methyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrimidin-4-amine
CID 103502321
3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]imidazolidine-2,4-dione
CID 80655042

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine (CID 80657624) is 2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(C)nc(CN2CCCCCCC2)n1.
What is the InChIKey of 2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is NJICWAKTMRKVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-3-9-17-15-12-14(2)18-16(19-15)13-20-10-7-5-4-6-8-11-20/h12H,3-11,13H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine?
2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 276.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80657624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).