N-[(2S)-butan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine

C16H17N5 — CID 135368005

IUPACN-[(2S)-butan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESCC[C@H](C)Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C16H17N5/c1-3-11(2)19-16-13-6-9-18-10-14(13)20-15(21-16)12-4-7-17-8-5-12/h4-11H,3H2,1-2H3,(H,19,20,21)/t11-/m0/s1
InChIKeyASUNJYYQHDCQSW-NSHDSACASA-N
MW279.35 g/mol
LogP3.30
Rot. Bonds4

About N-[(2S)-butan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine

N-[(2S)-butan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 135368005) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID135368005
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-[(2S)-butan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESCC[C@H](C)Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C16H17N5/c1-3-11(2)19-16-13-6-9-18-10-14(13)20-15(21-16)12-4-7-17-8-5-12/h4-11H,3H2,1-2H3,(H,19,20,21)/t11-/m0/s1
InChIKeyASUNJYYQHDCQSW-NSHDSACASA-N
XLogP3.30
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(2S)-butan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine (CID 135368005) is N-[(2S)-butan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine is CC[C@H](C)Nc1nc(-c2ccncc2)nc2cnccc12.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is ASUNJYYQHDCQSW-NSHDSACASA-N. The full InChI is InChI=1S/C16H17N5/c1-3-11(2)19-16-13-6-9-18-10-14(13)20-15(21-16)12-4-7-17-8-5-12/h4-11H,3H2,1-2H3,(H,19,20,21)/t11-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
N-[(2S)-butan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 279.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 135368005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).