N,2-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

C13H22N4 — CID 20753396

IUPACN,2-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCC(C)Nc1nc(C(C)C)nc2c1CNCC2
InChIInChI=1S/C13H22N4/c1-8(2)12-16-11-5-6-14-7-10(11)13(17-12)15-9(3)4/h8-9,14H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyDZCNZUJLCPWBKL-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.07
Rot. Bonds3

About N,2-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

N,2-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 20753396) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N,2-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID20753396
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN,2-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCC(C)Nc1nc(C(C)C)nc2c1CNCC2
InChIInChI=1S/C13H22N4/c1-8(2)12-16-11-5-6-14-7-10(11)13(17-12)15-9(3)4/h8-9,14H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyDZCNZUJLCPWBKL-UHFFFAOYSA-N
XLogP2.07
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 105476716
4-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione
CID 117102094
2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742866
2,4-di(propan-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-c]azepine
CID 176926544
N,2-di(propan-2-yl)-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine
CID 20626522
2-propan-2-yl-4-(propan-2-ylamino)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one
CID 20626301
4-ethoxy-2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 105496831
4-ethyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742482
2-methyl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 83847207
2-propan-2-yl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62191940
2-cyclobutyl-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 105473130
N-cyclopentyl-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 105491814

Frequently Asked Questions

What is the IUPAC name of N,2-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N,2-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 20753396) is N,2-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,2-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N,2-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is CC(C)Nc1nc(C(C)C)nc2c1CNCC2.
What is the InChIKey of N,2-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is DZCNZUJLCPWBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-8(2)12-16-11-5-6-14-7-10(11)13(17-12)15-9(3)4/h8-9,14H,5-7H2,1-4H3,(H,15,16,17).
What are the key properties of N,2-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
N,2-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 20753396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).