N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine

C17H16N4 — CID 142477727

IUPACN-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine
SMILESc1ccc2c(c1)CCCC2Nc1ncnc2cccnc12
InChIInChI=1S/C17H16N4/c1-2-7-13-12(5-1)6-3-8-14(13)21-17-16-15(19-11-20-17)9-4-10-18-16/h1-2,4-5,7,9-11,14H,3,6,8H2,(H,19,20,21)
InChIKeyPPFLJDBXAAQLDV-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.51
Rot. Bonds2

About N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine

N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 142477727) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID142477727
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine
SMILESc1ccc2c(c1)CCCC2Nc1ncnc2cccnc12
InChIInChI=1S/C17H16N4/c1-2-7-13-12(5-1)6-3-8-14(13)21-17-16-15(19-11-20-17)9-4-10-18-16/h1-2,4-5,7,9-11,14H,3,6,8H2,(H,19,20,21)
InChIKeyPPFLJDBXAAQLDV-UHFFFAOYSA-N
XLogP3.51
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1,2,4-triazol-1-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 142477797
3-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 62734178
9-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)purin-6-amine
CID 163348579
6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 62316564
5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167897143
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine
CID 65276359
6-chloro-4,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridazin-3-amine
CID 63271648
2-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 142477796
2-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 60673860
2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 62784380
4-N,4-N-dimethyl-6-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-4,6-diamine
CID 122282114
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-2H-pyrrol-5-amine
CID 2123116

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine (CID 142477727) is N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine is c1ccc2c(c1)CCCC2Nc1ncnc2cccnc12.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is PPFLJDBXAAQLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-2-7-13-12(5-1)6-3-8-14(13)21-17-16-15(19-11-20-17)9-4-10-18-16/h1-2,4-5,7,9-11,14H,3,6,8H2,(H,19,20,21).
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine?
N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 276.34 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 142477727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).