N,2-dipropyl-6-prop-2-ynoxypyrimidin-4-amine

C13H19N3O — CID 80949834

IUPACN,2-dipropyl-6-prop-2-ynoxypyrimidin-4-amine
SMILESC#CCOc1cc(NCCC)nc(CCC)n1
InChIInChI=1S/C13H19N3O/c1-4-7-11-15-12(14-8-5-2)10-13(16-11)17-9-6-3/h3,10H,4-5,7-9H2,1-2H3,(H,14,15,16)
InChIKeyVMMCUWJZSROQLF-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.26
Rot. Bonds7

About N,2-dipropyl-6-prop-2-ynoxypyrimidin-4-amine

N,2-dipropyl-6-prop-2-ynoxypyrimidin-4-amine (PubChem CID 80949834) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N,2-dipropyl-6-prop-2-ynoxypyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dipropyl-6-prop-2-ynoxypyrimidin-4-amine
PubChem CID80949834
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN,2-dipropyl-6-prop-2-ynoxypyrimidin-4-amine
SMILESC#CCOc1cc(NCCC)nc(CCC)n1
InChIInChI=1S/C13H19N3O/c1-4-7-11-15-12(14-8-5-2)10-13(16-11)17-9-6-3/h3,10H,4-5,7-9H2,1-2H3,(H,14,15,16)
InChIKeyVMMCUWJZSROQLF-UHFFFAOYSA-N
XLogP2.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-propyl-6-prop-2-ynoxypyridin-2-amine
CID 80861470
6-butoxy-N-hexyl-2-propylpyrimidin-4-amine
CID 82454392
6-phenoxy-N,2-dipropylpyrimidin-4-amine
CID 80949625
6-butoxy-N-(3-methoxypropyl)-2-propylpyrimidin-4-amine
CID 82454415
6-[2-[cyclopropyl(methyl)amino]ethoxy]-N,2-dipropylpyrimidin-4-amine
CID 102741401
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80949979
N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine
CID 80950123
N-ethyl-6-heptoxy-2-propylpyrimidin-4-amine
CID 80950198
N-ethyl-6-prop-2-ynoxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773598

Frequently Asked Questions

What is the IUPAC name of N,2-dipropyl-6-prop-2-ynoxypyrimidin-4-amine?
The IUPAC name of N,2-dipropyl-6-prop-2-ynoxypyrimidin-4-amine (CID 80949834) is N,2-dipropyl-6-prop-2-ynoxypyrimidin-4-amine.
What is the SMILES notation for N,2-dipropyl-6-prop-2-ynoxypyrimidin-4-amine?
The canonical SMILES for N,2-dipropyl-6-prop-2-ynoxypyrimidin-4-amine is C#CCOc1cc(NCCC)nc(CCC)n1.
What is the InChIKey of N,2-dipropyl-6-prop-2-ynoxypyrimidin-4-amine?
The InChIKey is VMMCUWJZSROQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-4-7-11-15-12(14-8-5-2)10-13(16-11)17-9-6-3/h3,10H,4-5,7-9H2,1-2H3,(H,14,15,16).
What are the key properties of N,2-dipropyl-6-prop-2-ynoxypyrimidin-4-amine?
N,2-dipropyl-6-prop-2-ynoxypyrimidin-4-amine has a molecular weight of 233.31 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dipropyl-6-prop-2-ynoxypyrimidin-4-amine is sourced from PubChem (CID 80949834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).