6-(benzotriazol-1-yl)-N,5-dimethyl-2-propylpyrimidin-4-amine

C15H18N6 — CID 80991653

IUPAC6-(benzotriazol-1-yl)-N,5-dimethyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)c(C)c(-n2nnc3ccccc32)n1
InChIInChI=1S/C15H18N6/c1-4-7-13-17-14(16-3)10(2)15(18-13)21-12-9-6-5-8-11(12)19-20-21/h5-6,8-9H,4,7H2,1-3H3,(H,16,17,18)
InChIKeyDLDNTSDWLWIFQE-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.51
Rot. Bonds4

About 6-(benzotriazol-1-yl)-N,5-dimethyl-2-propylpyrimidin-4-amine

6-(benzotriazol-1-yl)-N,5-dimethyl-2-propylpyrimidin-4-amine (PubChem CID 80991653) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 6-(benzotriazol-1-yl)-N,5-dimethyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(benzotriazol-1-yl)-N,5-dimethyl-2-propylpyrimidin-4-amine
PubChem CID80991653
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name6-(benzotriazol-1-yl)-N,5-dimethyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)c(C)c(-n2nnc3ccccc32)n1
InChIInChI=1S/C15H18N6/c1-4-7-13-17-14(16-3)10(2)15(18-13)21-12-9-6-5-8-11(12)19-20-21/h5-6,8-9H,4,7H2,1-3H3,(H,16,17,18)
InChIKeyDLDNTSDWLWIFQE-UHFFFAOYSA-N
XLogP2.51
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(benzotriazol-1-yl)-3,5-dichloro-N-methylpyridin-2-amine
CID 102760218
N,5-dimethyl-2-propyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80992808
1-[4-[4-(benzotriazol-1-yl)-2,5-dipropylphenyl]-2,5-dipropylphenyl]benzotriazole
CID 59246688
4-N-(2-iodophenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80976900
4-(benzotriazol-1-yl)-5-bromo-N-methylpyrimidin-2-amine
CID 80853309
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 104961762
6-(benzotriazol-1-yl)-4-N-propylpyrimidine-4,5-diamine
CID 19135548
N-ethyl-5-methyl-2-propyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine
CID 80992607
6-indazol-1-yl-5-methyl-2-propylpyrimidin-4-amine
CID 80989265
4-N-[(2-bromophenyl)methyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80986834
6-(2,3-dimethylpiperidin-1-yl)-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80982926
N,5-dimethyl-6-(2-methylazepan-1-yl)-2-propylpyrimidin-4-amine
CID 80985513

Frequently Asked Questions

What is the IUPAC name of 6-(benzotriazol-1-yl)-N,5-dimethyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(benzotriazol-1-yl)-N,5-dimethyl-2-propylpyrimidin-4-amine (CID 80991653) is 6-(benzotriazol-1-yl)-N,5-dimethyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(benzotriazol-1-yl)-N,5-dimethyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(benzotriazol-1-yl)-N,5-dimethyl-2-propylpyrimidin-4-amine is CCCc1nc(NC)c(C)c(-n2nnc3ccccc32)n1.
What is the InChIKey of 6-(benzotriazol-1-yl)-N,5-dimethyl-2-propylpyrimidin-4-amine?
The InChIKey is DLDNTSDWLWIFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-4-7-13-17-14(16-3)10(2)15(18-13)21-12-9-6-5-8-11(12)19-20-21/h5-6,8-9H,4,7H2,1-3H3,(H,16,17,18).
What are the key properties of 6-(benzotriazol-1-yl)-N,5-dimethyl-2-propylpyrimidin-4-amine?
6-(benzotriazol-1-yl)-N,5-dimethyl-2-propylpyrimidin-4-amine has a molecular weight of 282.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzotriazol-1-yl)-N,5-dimethyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80991653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).