2-(3-chloro-4-pyridinyl)-N-(2-methylbutan-2-yl)pyrido[3,4-d]pyrimidin-4-amine

C17H18ClN5 — CID 135368361

IUPAC2-(3-chloro-4-pyridinyl)-N-(2-methylbutan-2-yl)pyrido[3,4-d]pyrimidin-4-amine
SMILESCCC(C)(C)Nc1nc(-c2ccncc2Cl)nc2cnccc12
InChIInChI=1S/C17H18ClN5/c1-4-17(2,3)23-16-12-6-8-20-10-14(12)21-15(22-16)11-5-7-19-9-13(11)18/h5-10H,4H2,1-3H3,(H,21,22,23)
InChIKeyOXIMJDPCKQGAMC-UHFFFAOYSA-N
MW327.82 g/mol
LogP4.34
Rot. Bonds4

About 2-(3-chloro-4-pyridinyl)-N-(2-methylbutan-2-yl)pyrido[3,4-d]pyrimidin-4-amine

2-(3-chloro-4-pyridinyl)-N-(2-methylbutan-2-yl)pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 135368361) has the molecular formula C17H18ClN5 and a molecular weight of 327.82 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-N-(2-methylbutan-2-yl)pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-N-(2-methylbutan-2-yl)pyrido[3,4-d]pyrimidin-4-amine
PubChem CID135368361
Molecular FormulaC17H18ClN5
Molecular Weight327.82 g/mol
Exact Mass327.13
IUPAC Name2-(3-chloro-4-pyridinyl)-N-(2-methylbutan-2-yl)pyrido[3,4-d]pyrimidin-4-amine
SMILESCCC(C)(C)Nc1nc(-c2ccncc2Cl)nc2cnccc12
InChIInChI=1S/C17H18ClN5/c1-4-17(2,3)23-16-12-6-8-20-10-14(12)21-15(22-16)11-5-7-19-9-13(11)18/h5-10H,4H2,1-3H3,(H,21,22,23)
InChIKeyOXIMJDPCKQGAMC-UHFFFAOYSA-N
XLogP4.34
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-N-(2-methylbutan-2-yl)pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-N-(2-methylbutan-2-yl)pyrido[3,4-d]pyrimidin-4-amine (CID 135368361) is 2-(3-chloro-4-pyridinyl)-N-(2-methylbutan-2-yl)pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-N-(2-methylbutan-2-yl)pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-N-(2-methylbutan-2-yl)pyrido[3,4-d]pyrimidin-4-amine is CCC(C)(C)Nc1nc(-c2ccncc2Cl)nc2cnccc12.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-N-(2-methylbutan-2-yl)pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is OXIMJDPCKQGAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5/c1-4-17(2,3)23-16-12-6-8-20-10-14(12)21-15(22-16)11-5-7-19-9-13(11)18/h5-10H,4H2,1-3H3,(H,21,22,23).
What are the key properties of 2-(3-chloro-4-pyridinyl)-N-(2-methylbutan-2-yl)pyrido[3,4-d]pyrimidin-4-amine?
2-(3-chloro-4-pyridinyl)-N-(2-methylbutan-2-yl)pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 327.82 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-N-(2-methylbutan-2-yl)pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 135368361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).