6-[(6-aminopyrimidin-4-yl)amino]-3,4-dihydro-2H-naphthalen-1-one

C14H14N4O — CID 141305407

IUPAC6-[(6-aminopyrimidin-4-yl)amino]-3,4-dihydro-2H-naphthalen-1-one
SMILESNc1cc(Nc2ccc3c(c2)CCCC3=O)ncn1
InChIInChI=1S/C14H14N4O/c15-13-7-14(17-8-16-13)18-10-4-5-11-9(6-10)2-1-3-12(11)19/h4-8H,1-3H2,(H3,15,16,17,18)
InChIKeyXDOXRHGGBPDYTF-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.32
Rot. Bonds2

About 6-[(6-aminopyrimidin-4-yl)amino]-3,4-dihydro-2H-naphthalen-1-one

6-[(6-aminopyrimidin-4-yl)amino]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 141305407) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-[(6-aminopyrimidin-4-yl)amino]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[(6-aminopyrimidin-4-yl)amino]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID141305407
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name6-[(6-aminopyrimidin-4-yl)amino]-3,4-dihydro-2H-naphthalen-1-one
SMILESNc1cc(Nc2ccc3c(c2)CCCC3=O)ncn1
InChIInChI=1S/C14H14N4O/c15-13-7-14(17-8-16-13)18-10-4-5-11-9(6-10)2-1-3-12(11)19/h4-8H,1-3H2,(H3,15,16,17,18)
InChIKeyXDOXRHGGBPDYTF-UHFFFAOYSA-N
XLogP2.32
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-({4-[(2-Methylphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138018
4-[(4-{[3-(Trifluoromethyl)phenyl]amino}pyrimidin-2-Yl)amino]benzamide
CID 60138155
Flt3-IN-12
CID 155668690
1-[4-({[4-(2,4-Diamino-6-ethylpyrimidin-5-yl)phenyl]amino}methyl)phenyl]ethan-1-one
CID 11537800
3-({4-[(5-Amino-2-methylphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138024
3-((4-((3-Fluorophenyl)amino)pyrimidin-2-yl)amino)benzamide
CID 25138030
2-({2-[(4-Carbamoylphenyl)amino]pyrimidin-4-Yl}amino)benzamide
CID 60138156
N-(4-acetylphenyl)-4-(3-pyridinyl)-2-pyrimidinamine
CID 14347036
4-[[4-[(2,4,6-Trimethylphenyl)amino]-2-pyrimidinyl]amino]benzamide
CID 22398430
4-[(4-Phenylpyrimidin-2-yl)amino]benzamide
CID 44627578
4-(4-Pyrimidinylamino)benzamide
CID 59225955
US10266549, Example 301
CID 118905513

Frequently Asked Questions

What is the IUPAC name of 6-[(6-aminopyrimidin-4-yl)amino]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[(6-aminopyrimidin-4-yl)amino]-3,4-dihydro-2H-naphthalen-1-one (CID 141305407) is 6-[(6-aminopyrimidin-4-yl)amino]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[(6-aminopyrimidin-4-yl)amino]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[(6-aminopyrimidin-4-yl)amino]-3,4-dihydro-2H-naphthalen-1-one is Nc1cc(Nc2ccc3c(c2)CCCC3=O)ncn1.
What is the InChIKey of 6-[(6-aminopyrimidin-4-yl)amino]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is XDOXRHGGBPDYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-13-7-14(17-8-16-13)18-10-4-5-11-9(6-10)2-1-3-12(11)19/h4-8H,1-3H2,(H3,15,16,17,18).
What are the key properties of 6-[(6-aminopyrimidin-4-yl)amino]-3,4-dihydro-2H-naphthalen-1-one?
6-[(6-aminopyrimidin-4-yl)amino]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 254.29 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-aminopyrimidin-4-yl)amino]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 141305407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).