N-tert-butyl-5-chloro-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine

C16H16ClN5 — CID 135368052

IUPACN-tert-butyl-5-chloro-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)Nc1nc(-c2ccncc2)nc2cncc(Cl)c12
InChIInChI=1S/C16H16ClN5/c1-16(2,3)22-15-13-11(17)8-19-9-12(13)20-14(21-15)10-4-6-18-7-5-10/h4-9H,1-3H3,(H,20,21,22)
InChIKeyCPJACQKXXLMUSC-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.95
Rot. Bonds2

About N-tert-butyl-5-chloro-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine

N-tert-butyl-5-chloro-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 135368052) has the molecular formula C16H16ClN5 and a molecular weight of 313.79 g/mol. Its IUPAC name is N-tert-butyl-5-chloro-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-5-chloro-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID135368052
Molecular FormulaC16H16ClN5
Molecular Weight313.79 g/mol
Exact Mass313.11
IUPAC NameN-tert-butyl-5-chloro-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)Nc1nc(-c2ccncc2)nc2cncc(Cl)c12
InChIInChI=1S/C16H16ClN5/c1-16(2,3)22-15-13-11(17)8-19-9-12(13)20-14(21-15)10-4-6-18-7-5-10/h4-9H,1-3H3,(H,20,21,22)
InChIKeyCPJACQKXXLMUSC-UHFFFAOYSA-N
XLogP3.95
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-chloro-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-tert-butyl-5-chloro-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine (CID 135368052) is N-tert-butyl-5-chloro-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-5-chloro-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-5-chloro-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine is CC(C)(C)Nc1nc(-c2ccncc2)nc2cncc(Cl)c12.
What is the InChIKey of N-tert-butyl-5-chloro-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is CPJACQKXXLMUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5/c1-16(2,3)22-15-13-11(17)8-19-9-12(13)20-14(21-15)10-4-6-18-7-5-10/h4-9H,1-3H3,(H,20,21,22).
What are the key properties of N-tert-butyl-5-chloro-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
N-tert-butyl-5-chloro-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 313.79 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-chloro-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 135368052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).