2-benzyl-6-propan-2-yl-N-propylpyrimidin-4-amine

C17H23N3 — CID 63485421

IUPAC2-benzyl-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)C)nc(Cc2ccccc2)n1
InChIInChI=1S/C17H23N3/c1-4-10-18-16-12-15(13(2)3)19-17(20-16)11-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,18,19,20)
InChIKeyROKLTGPSMOEZAC-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.01
Rot. Bonds6

About 2-benzyl-6-propan-2-yl-N-propylpyrimidin-4-amine

2-benzyl-6-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 63485421) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-benzyl-6-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-6-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID63485421
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-benzyl-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)C)nc(Cc2ccccc2)n1
InChIInChI=1S/C17H23N3/c1-4-10-18-16-12-15(13(2)3)19-17(20-16)11-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,18,19,20)
InChIKeyROKLTGPSMOEZAC-UHFFFAOYSA-N
XLogP4.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485245
2-[(2-fluorophenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485417
2-(phenoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 62716221
2-benzyl-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 62320410
2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 62190414
2-[(4-chlorophenyl)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 63484706
2-(tert-butylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65138244
2-benzyl-6-propan-2-ylpyrimidin-4-amine
CID 62192798
2-benzyl-N-ethyl-6-propylpyrimidin-4-amine
CID 62192157
2-benzyl-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300352
2-benzyl-N-ethyl-6-methylpyrimidin-4-amine
CID 62191071
2-(cyclopentylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65140283

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-benzyl-6-propan-2-yl-N-propylpyrimidin-4-amine (CID 63485421) is 2-benzyl-6-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-6-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-benzyl-6-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1cc(C(C)C)nc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-6-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is ROKLTGPSMOEZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-4-10-18-16-12-15(13(2)3)19-17(20-16)11-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,18,19,20).
What are the key properties of 2-benzyl-6-propan-2-yl-N-propylpyrimidin-4-amine?
2-benzyl-6-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 269.39 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 63485421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).