N-butan-2-yl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine

C17H22N4 — CID 112855480

IUPACN-butan-2-yl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine
SMILESCCC(C)Nc1cc(N2CCc3ccccc3C2)ncn1
InChIInChI=1S/C17H22N4/c1-3-13(2)20-16-10-17(19-12-18-16)21-9-8-14-6-4-5-7-15(14)11-21/h4-7,10,12-13H,3,8-9,11H2,1-2H3,(H,18,19,20)
InChIKeyPDAPWBYXWRSTFA-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.25
Rot. Bonds4

About N-butan-2-yl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine

N-butan-2-yl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine (PubChem CID 112855480) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-butan-2-yl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine
PubChem CID112855480
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-butan-2-yl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine
SMILESCCC(C)Nc1cc(N2CCc3ccccc3C2)ncn1
InChIInChI=1S/C17H22N4/c1-3-13(2)20-16-10-17(19-12-18-16)21-9-8-14-6-4-5-7-15(14)11-21/h4-7,10,12-13H,3,8-9,11H2,1-2H3,(H,18,19,20)
InChIKeyPDAPWBYXWRSTFA-UHFFFAOYSA-N
XLogP3.25
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112861158
2-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112858045
6-(1,3-dihydroisoindol-2-yl)-N-methylpyrimidin-4-amine
CID 80822585
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 112861185
6-(1,3-dihydroisoindol-2-yl)-N-propylpyrimidin-4-amine
CID 80822758
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 112861254
N-[(2S)-butan-2-yl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-amine
CID 69150898
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine
CID 112861244
N-[3-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 53362968
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-2-methylpyrimidin-4-amine
CID 80767695
(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]propan-1-ol
CID 124502142
N-(1,3-benzodioxol-5-ylmethyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine
CID 112860338

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine?
The IUPAC name of N-butan-2-yl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine (CID 112855480) is N-butan-2-yl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-butan-2-yl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-butan-2-yl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine is CCC(C)Nc1cc(N2CCc3ccccc3C2)ncn1.
What is the InChIKey of N-butan-2-yl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine?
The InChIKey is PDAPWBYXWRSTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-13(2)20-16-10-17(19-12-18-16)21-9-8-14-6-4-5-7-15(14)11-21/h4-7,10,12-13H,3,8-9,11H2,1-2H3,(H,18,19,20).
What are the key properties of N-butan-2-yl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine?
N-butan-2-yl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine has a molecular weight of 282.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 112855480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).