tert-butyl 2-[(Z)-1-amino-4-methylpent-1-en-2-yl]-6-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate

C19H30N4O3 — CID 163383879

IUPACtert-butyl 2-[(Z)-1-amino-4-methylpent-1-en-2-yl]-6-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate
SMILESCC(C)C/C(=C/N)c1nc2c(c(=O)[nH]1)CC(C)N(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C19H30N4O3/c1-11(2)7-13(9-20)16-21-15-10-23(18(25)26-19(4,5)6)12(3)8-14(15)17(24)22-16/h9,11-12H,7-8,10,20H2,1-6H3,(H,21,22,24)/b13-9-
InChIKeyHDSMDACWLMEVQA-LCYFTJDESA-N
MW362.47 g/mol
LogP2.80
Rot. Bonds3

About tert-butyl 2-[(Z)-1-amino-4-methylpent-1-en-2-yl]-6-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate

tert-butyl 2-[(Z)-1-amino-4-methylpent-1-en-2-yl]-6-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate (PubChem CID 163383879) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is tert-butyl 2-[(Z)-1-amino-4-methylpent-1-en-2-yl]-6-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(Z)-1-amino-4-methylpent-1-en-2-yl]-6-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate
PubChem CID163383879
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Nametert-butyl 2-[(Z)-1-amino-4-methylpent-1-en-2-yl]-6-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate
SMILESCC(C)C/C(=C/N)c1nc2c(c(=O)[nH]1)CC(C)N(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C19H30N4O3/c1-11(2)7-13(9-20)16-21-15-10-23(18(25)26-19(4,5)6)12(3)8-14(15)17(24)22-16/h9,11-12H,7-8,10,20H2,1-6H3,(H,21,22,24)/b13-9-
InChIKeyHDSMDACWLMEVQA-LCYFTJDESA-N
XLogP2.80
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(Z)-1-amino-4-methylpent-1-en-2-yl]-6-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate?
The IUPAC name of tert-butyl 2-[(Z)-1-amino-4-methylpent-1-en-2-yl]-6-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate (CID 163383879) is tert-butyl 2-[(Z)-1-amino-4-methylpent-1-en-2-yl]-6-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate.
What is the SMILES notation for tert-butyl 2-[(Z)-1-amino-4-methylpent-1-en-2-yl]-6-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate?
The canonical SMILES for tert-butyl 2-[(Z)-1-amino-4-methylpent-1-en-2-yl]-6-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate is CC(C)C/C(=C/N)c1nc2c(c(=O)[nH]1)CC(C)N(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 2-[(Z)-1-amino-4-methylpent-1-en-2-yl]-6-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate?
The InChIKey is HDSMDACWLMEVQA-LCYFTJDESA-N. The full InChI is InChI=1S/C19H30N4O3/c1-11(2)7-13(9-20)16-21-15-10-23(18(25)26-19(4,5)6)12(3)8-14(15)17(24)22-16/h9,11-12H,7-8,10,20H2,1-6H3,(H,21,22,24)/b13-9-.
What are the key properties of tert-butyl 2-[(Z)-1-amino-4-methylpent-1-en-2-yl]-6-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate?
tert-butyl 2-[(Z)-1-amino-4-methylpent-1-en-2-yl]-6-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(Z)-1-amino-4-methylpent-1-en-2-yl]-6-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate is sourced from PubChem (CID 163383879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).