2-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetonitrile

C9H8Cl2N4 — CID 146409718

IUPAC2-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetonitrile
SMILESN#CCN1CCc2c(Cl)nc(Cl)nc2C1
InChIInChI=1S/C9H8Cl2N4/c10-8-6-1-3-15(4-2-12)5-7(6)13-9(11)14-8/h1,3-5H2
InChIKeyDINHURMOHSUSTQ-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.67
Rot. Bonds1

About 2-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetonitrile

2-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetonitrile (PubChem CID 146409718) has the molecular formula C9H8Cl2N4 and a molecular weight of 243.10 g/mol. Its IUPAC name is 2-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetonitrile.

Molecular Properties

Compound Name2-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetonitrile
PubChem CID146409718
Molecular FormulaC9H8Cl2N4
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name2-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetonitrile
SMILESN#CCN1CCc2c(Cl)nc(Cl)nc2C1
InChIInChI=1S/C9H8Cl2N4/c10-8-6-1-3-15(4-2-12)5-7(6)13-9(11)14-8/h1,3-5H2
InChIKeyDINHURMOHSUSTQ-UHFFFAOYSA-N
XLogP1.67
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 105490423
2,4-dichloro-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 146405493
3-(2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propanamide
CID 87650656
ethane;2-(2-methyl-4-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetonitrile
CID 176926740
2,4-dichloro-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 166056835
2-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)acetonitrile;ethane;propane
CID 177140859
4-(7-benzyl-4-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenol
CID 155345009
2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)acetonitrile
CID 131084001
2-chloro-4,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 88883283
4-[(2-chloro-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-propylamino]-3-methylbutanenitrile
CID 142595126
7-benzyl-2,4-dichloro-5,8-dihydropyrido[3,4-d]pyrimidin-6-one
CID 163223098
2,4-dichloro-7-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 170724844

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetonitrile?
The IUPAC name of 2-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetonitrile (CID 146409718) is 2-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetonitrile.
What is the SMILES notation for 2-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetonitrile?
The canonical SMILES for 2-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetonitrile is N#CCN1CCc2c(Cl)nc(Cl)nc2C1.
What is the InChIKey of 2-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetonitrile?
The InChIKey is DINHURMOHSUSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4/c10-8-6-1-3-15(4-2-12)5-7(6)13-9(11)14-8/h1,3-5H2.
What are the key properties of 2-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetonitrile?
2-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetonitrile has a molecular weight of 243.10 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetonitrile is sourced from PubChem (CID 146409718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).