tert-butyl N-[(2R)-4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)amino]butan-2-yl]carbamate

C16H23N5O3 — CID 137153000

IUPACtert-butyl N-[(2R)-4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)amino]butan-2-yl]carbamate
SMILESC[C@H](CCNc1nccc2c(=O)[nH]cnc12)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H23N5O3/c1-10(21-15(23)24-16(2,3)4)5-7-17-13-12-11(6-8-18-13)14(22)20-9-19-12/h6,8-10H,5,7H2,1-4H3,(H,17,18)(H,21,23)(H,19,20,22)/t10-/m1/s1
InChIKeyCFXMKCSHXJJYHS-SNVBAGLBSA-N
MW333.39 g/mol
LogP2.03
Rot. Bonds5

About tert-butyl N-[(2R)-4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)amino]butan-2-yl]carbamate

tert-butyl N-[(2R)-4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)amino]butan-2-yl]carbamate (PubChem CID 137153000) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is tert-butyl N-[(2R)-4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)amino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)amino]butan-2-yl]carbamate
PubChem CID137153000
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Nametert-butyl N-[(2R)-4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)amino]butan-2-yl]carbamate
SMILESC[C@H](CCNc1nccc2c(=O)[nH]cnc12)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H23N5O3/c1-10(21-15(23)24-16(2,3)4)5-7-17-13-12-11(6-8-18-13)14(22)20-9-19-12/h6,8-10H,5,7H2,1-4H3,(H,17,18)(H,21,23)(H,19,20,22)/t10-/m1/s1
InChIKeyCFXMKCSHXJJYHS-SNVBAGLBSA-N
XLogP2.03
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(2R)-4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)amino]butan-2-yl]carbamate with MolForge

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Related Compounds

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tert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)amino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)amino]butan-2-yl]carbamate (CID 137153000) is tert-butyl N-[(2R)-4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)amino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)amino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)amino]butan-2-yl]carbamate is C[C@H](CCNc1nccc2c(=O)[nH]cnc12)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)amino]butan-2-yl]carbamate?
The InChIKey is CFXMKCSHXJJYHS-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-10(21-15(23)24-16(2,3)4)5-7-17-13-12-11(6-8-18-13)14(22)20-9-19-12/h6,8-10H,5,7H2,1-4H3,(H,17,18)(H,21,23)(H,19,20,22)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)amino]butan-2-yl]carbamate?
tert-butyl N-[(2R)-4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)amino]butan-2-yl]carbamate has a molecular weight of 333.39 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)amino]butan-2-yl]carbamate is sourced from PubChem (CID 137153000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).