2-(aminomethyl)-N-propan-2-yl-5-propan-2-yloxypyrimidin-4-amine

C11H20N4O — CID 51042446

IUPAC2-(aminomethyl)-N-propan-2-yl-5-propan-2-yloxypyrimidin-4-amine
SMILESCC(C)Nc1nc(CN)ncc1OC(C)C
InChIInChI=1S/C11H20N4O/c1-7(2)14-11-9(16-8(3)4)6-13-10(5-12)15-11/h6-8H,5,12H2,1-4H3,(H,13,14,15)
InChIKeyQOTDWHUVMACREX-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.54
Rot. Bonds5

About 2-(aminomethyl)-N-propan-2-yl-5-propan-2-yloxypyrimidin-4-amine

2-(aminomethyl)-N-propan-2-yl-5-propan-2-yloxypyrimidin-4-amine (PubChem CID 51042446) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-propan-2-yl-5-propan-2-yloxypyrimidin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-propan-2-yl-5-propan-2-yloxypyrimidin-4-amine
PubChem CID51042446
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-(aminomethyl)-N-propan-2-yl-5-propan-2-yloxypyrimidin-4-amine
SMILESCC(C)Nc1nc(CN)ncc1OC(C)C
InChIInChI=1S/C11H20N4O/c1-7(2)14-11-9(16-8(3)4)6-13-10(5-12)15-11/h6-8H,5,12H2,1-4H3,(H,13,14,15)
InChIKeyQOTDWHUVMACREX-UHFFFAOYSA-N
XLogP1.54
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-5-(azetidin-2-ylmethoxy)pyrimidine
CID 10464674
5-Methoxy-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25129175
4-N-butyl-5-propan-2-yloxypyrimidine-2,4-diamine
CID 70856469
(2S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol
CID 70856471
4-N-butyl-5-propoxypyrimidine-2,4-diamine
CID 70856429
4-N-butyl-5-ethoxypyrimidine-2,4-diamine
CID 70856441
5-ethoxy-4-N-pentylpyrimidine-2,4-diamine
CID 70856447
5-methoxy-4-N-pentan-2-ylpyrimidine-2,4-diamine
CID 70856478
(2R)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]pentan-1-ol
CID 70856504
5-methoxy-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 89037059
5-methoxy-4-N-(4,4,4-trifluorobutyl)pyrimidine-2,4-diamine
CID 89966608
5-Cyclohexyloxypyrimidine-2,4-diamine
CID 44531860

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-propan-2-yl-5-propan-2-yloxypyrimidin-4-amine?
The IUPAC name of 2-(aminomethyl)-N-propan-2-yl-5-propan-2-yloxypyrimidin-4-amine (CID 51042446) is 2-(aminomethyl)-N-propan-2-yl-5-propan-2-yloxypyrimidin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-N-propan-2-yl-5-propan-2-yloxypyrimidin-4-amine?
The canonical SMILES for 2-(aminomethyl)-N-propan-2-yl-5-propan-2-yloxypyrimidin-4-amine is CC(C)Nc1nc(CN)ncc1OC(C)C.
What is the InChIKey of 2-(aminomethyl)-N-propan-2-yl-5-propan-2-yloxypyrimidin-4-amine?
The InChIKey is QOTDWHUVMACREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-7(2)14-11-9(16-8(3)4)6-13-10(5-12)15-11/h6-8H,5,12H2,1-4H3,(H,13,14,15).
What are the key properties of 2-(aminomethyl)-N-propan-2-yl-5-propan-2-yloxypyrimidin-4-amine?
2-(aminomethyl)-N-propan-2-yl-5-propan-2-yloxypyrimidin-4-amine has a molecular weight of 224.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-propan-2-yl-5-propan-2-yloxypyrimidin-4-amine is sourced from PubChem (CID 51042446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).