N-tert-butyl-7-methylpyrido[2,3-d]pyrimidin-4-amine;N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine

C22H28N8 — CID 159819152

IUPACN-tert-butyl-7-methylpyrido[2,3-d]pyrimidin-4-amine;N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESCC(C)Nc1ncnc2ncccc12.Cc1ccc2c(NC(C)(C)C)ncnc2n1
InChIInChI=1S/C12H16N4.C10H12N4/c1-8-5-6-9-10(15-8)13-7-14-11(9)16-12(2,3)4;1-7(2)14-10-8-4-3-5-11-9(8)12-6-13-10/h5-7H,1-4H3,(H,13,14,15,16);3-7H,1-2H3,(H,11,12,13,14)
InChIKeyNLZUNZPHLNADGC-UHFFFAOYSA-N
MW404.52 g/mol
LogP4.39
Rot. Bonds3

About N-tert-butyl-7-methylpyrido[2,3-d]pyrimidin-4-amine;N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine

N-tert-butyl-7-methylpyrido[2,3-d]pyrimidin-4-amine;N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 159819152) has the molecular formula C22H28N8 and a molecular weight of 404.52 g/mol. Its IUPAC name is N-tert-butyl-7-methylpyrido[2,3-d]pyrimidin-4-amine;N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-7-methylpyrido[2,3-d]pyrimidin-4-amine;N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID159819152
Molecular FormulaC22H28N8
Molecular Weight404.52 g/mol
Exact Mass404.24
IUPAC NameN-tert-butyl-7-methylpyrido[2,3-d]pyrimidin-4-amine;N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESCC(C)Nc1ncnc2ncccc12.Cc1ccc2c(NC(C)(C)C)ncnc2n1
InChIInChI=1S/C12H16N4.C10H12N4/c1-8-5-6-9-10(15-8)13-7-14-11(9)16-12(2,3)4;1-7(2)14-10-8-4-3-5-11-9(8)12-6-13-10/h5-7H,1-4H3,(H,13,14,15,16);3-7H,1-2H3,(H,11,12,13,14)
InChIKeyNLZUNZPHLNADGC-UHFFFAOYSA-N
XLogP4.39
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-7-methylpyrido[2,3-d]pyrimidin-4-amine;N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-tert-butyl-7-methylpyrido[2,3-d]pyrimidin-4-amine;N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine (CID 159819152) is N-tert-butyl-7-methylpyrido[2,3-d]pyrimidin-4-amine;N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-7-methylpyrido[2,3-d]pyrimidin-4-amine;N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-7-methylpyrido[2,3-d]pyrimidin-4-amine;N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine is CC(C)Nc1ncnc2ncccc12.Cc1ccc2c(NC(C)(C)C)ncnc2n1.
What is the InChIKey of N-tert-butyl-7-methylpyrido[2,3-d]pyrimidin-4-amine;N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is NLZUNZPHLNADGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4.C10H12N4/c1-8-5-6-9-10(15-8)13-7-14-11(9)16-12(2,3)4;1-7(2)14-10-8-4-3-5-11-9(8)12-6-13-10/h5-7H,1-4H3,(H,13,14,15,16);3-7H,1-2H3,(H,11,12,13,14).
What are the key properties of N-tert-butyl-7-methylpyrido[2,3-d]pyrimidin-4-amine;N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine?
N-tert-butyl-7-methylpyrido[2,3-d]pyrimidin-4-amine;N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 404.52 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-7-methylpyrido[2,3-d]pyrimidin-4-amine;N-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 159819152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).