N-tert-butyl-2-methylpyrido[3,2-d]pyrimidin-4-amine

C12H16N4 — CID 155116977

IUPACN-tert-butyl-2-methylpyrido[3,2-d]pyrimidin-4-amine
SMILESCc1nc(NC(C)(C)C)c2ncccc2n1
InChIInChI=1S/C12H16N4/c1-8-14-9-6-5-7-13-10(9)11(15-8)16-12(2,3)4/h5-7H,1-4H3,(H,14,15,16)
InChIKeyBQZWNDHZBZJIKH-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.54
Rot. Bonds1

About N-tert-butyl-2-methylpyrido[3,2-d]pyrimidin-4-amine

N-tert-butyl-2-methylpyrido[3,2-d]pyrimidin-4-amine (PubChem CID 155116977) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-tert-butyl-2-methylpyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methylpyrido[3,2-d]pyrimidin-4-amine
PubChem CID155116977
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-tert-butyl-2-methylpyrido[3,2-d]pyrimidin-4-amine
SMILESCc1nc(NC(C)(C)C)c2ncccc2n1
InChIInChI=1S/C12H16N4/c1-8-14-9-6-5-7-13-10(9)11(15-8)16-12(2,3)4/h5-7H,1-4H3,(H,14,15,16)
InChIKeyBQZWNDHZBZJIKH-UHFFFAOYSA-N
XLogP2.54
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-chloropyrido[3,2-d]pyrimidin-4-amine
CID 155102646
2-methyl-N-propylpyrido[3,2-d]pyrimidin-4-amine
CID 140944597
4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 122598693
N-tert-butyl-3-iodopyridin-2-amine
CID 163216156
4-N-(3-methylheptan-3-yl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 122598680
2-methyl-N-(4,5,6,7-tetrahydro-1H-indol-5-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 163478567
(3S)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol
CID 122585247
6-methylpyrido[2,3-c][1,5]naphthyridine
CID 163955325
(2R)-2-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptanoic acid
CID 155182983
2-methyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine chloride
CID 53346777
N,2-di(propan-2-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 20604253
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentyl]acetamide
CID 134319396

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methylpyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-tert-butyl-2-methylpyrido[3,2-d]pyrimidin-4-amine (CID 155116977) is N-tert-butyl-2-methylpyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-2-methylpyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-2-methylpyrido[3,2-d]pyrimidin-4-amine is Cc1nc(NC(C)(C)C)c2ncccc2n1.
What is the InChIKey of N-tert-butyl-2-methylpyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is BQZWNDHZBZJIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-8-14-9-6-5-7-13-10(9)11(15-8)16-12(2,3)4/h5-7H,1-4H3,(H,14,15,16).
What are the key properties of N-tert-butyl-2-methylpyrido[3,2-d]pyrimidin-4-amine?
N-tert-butyl-2-methylpyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 216.29 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methylpyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 155116977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).