2-chloro-N-(1H-inden-5-yl)pyrido[3,2-d]pyrimidin-4-amine

C16H11ClN4 — CID 165037811

IUPAC2-chloro-N-(1H-inden-5-yl)pyrido[3,2-d]pyrimidin-4-amine
SMILESClc1nc(Nc2ccc3c(c2)C=CC3)c2ncccc2n1
InChIInChI=1S/C16H11ClN4/c17-16-20-13-5-2-8-18-14(13)15(21-16)19-12-7-6-10-3-1-4-11(10)9-12/h1-2,4-9H,3H2,(H,19,20,21)
InChIKeyYFASXVIYOZKNET-UHFFFAOYSA-N
MW294.75 g/mol
LogP3.99
Rot. Bonds2

About 2-chloro-N-(1H-inden-5-yl)pyrido[3,2-d]pyrimidin-4-amine

2-chloro-N-(1H-inden-5-yl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 165037811) has the molecular formula C16H11ClN4 and a molecular weight of 294.75 g/mol. Its IUPAC name is 2-chloro-N-(1H-inden-5-yl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1H-inden-5-yl)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID165037811
Molecular FormulaC16H11ClN4
Molecular Weight294.75 g/mol
Exact Mass294.07
IUPAC Name2-chloro-N-(1H-inden-5-yl)pyrido[3,2-d]pyrimidin-4-amine
SMILESClc1nc(Nc2ccc3c(c2)C=CC3)c2ncccc2n1
InChIInChI=1S/C16H11ClN4/c17-16-20-13-5-2-8-18-14(13)15(21-16)19-12-7-6-10-3-1-4-11(10)9-12/h1-2,4-9H,3H2,(H,19,20,21)
InChIKeyYFASXVIYOZKNET-UHFFFAOYSA-N
XLogP3.99
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-chloropyrido[3,2-d]pyrimidin-4-amine
CID 155102646
1H-inden-5-ylhydrazine
CID 141194274
N-(1H-inden-5-yl)-8-methoxy-2-pyridin-4-ylquinazolin-4-amine
CID 165019705
2-chloro-N-(1H-isoindol-5-yl)furo[3,2-d]pyrimidin-4-amine
CID 157282792
2-chloro-N-[(3-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-4-amine
CID 118239615
N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-6-amine
CID 81036767
N-(2-chloro-5-iodopyrimidin-4-yl)quinolin-6-amine
CID 90052787
2-chloro-N-(4-chlorophenyl)quinazolin-4-amine
CID 22692704
2-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 142477796
4-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692945
(3S)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol
CID 122585247
3-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692943

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1H-inden-5-yl)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(1H-inden-5-yl)pyrido[3,2-d]pyrimidin-4-amine (CID 165037811) is 2-chloro-N-(1H-inden-5-yl)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(1H-inden-5-yl)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(1H-inden-5-yl)pyrido[3,2-d]pyrimidin-4-amine is Clc1nc(Nc2ccc3c(c2)C=CC3)c2ncccc2n1.
What is the InChIKey of 2-chloro-N-(1H-inden-5-yl)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is YFASXVIYOZKNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4/c17-16-20-13-5-2-8-18-14(13)15(21-16)19-12-7-6-10-3-1-4-11(10)9-12/h1-2,4-9H,3H2,(H,19,20,21).
What are the key properties of 2-chloro-N-(1H-inden-5-yl)pyrido[3,2-d]pyrimidin-4-amine?
2-chloro-N-(1H-inden-5-yl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 294.75 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1H-inden-5-yl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 165037811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).