6-(3-methylbutyl)-2-(2-methylpropoxy)-N-(2-methylpropyl)pyrimidin-4-amine

C17H31N3O — CID 25129168

IUPAC6-(3-methylbutyl)-2-(2-methylpropoxy)-N-(2-methylpropyl)pyrimidin-4-amine
SMILESCC(C)CCc1cc(NCC(C)C)nc(OCC(C)C)n1
InChIInChI=1S/C17H31N3O/c1-12(2)7-8-15-9-16(18-10-13(3)4)20-17(19-15)21-11-14(5)6/h9,12-14H,7-8,10-11H2,1-6H3,(H,18,19,20)
InChIKeyNVVYPTVERJXDIN-UHFFFAOYSA-N
MW293.46 g/mol
LogP4.17
Rot. Bonds9

About 6-(3-methylbutyl)-2-(2-methylpropoxy)-N-(2-methylpropyl)pyrimidin-4-amine

6-(3-methylbutyl)-2-(2-methylpropoxy)-N-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 25129168) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 6-(3-methylbutyl)-2-(2-methylpropoxy)-N-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methylbutyl)-2-(2-methylpropoxy)-N-(2-methylpropyl)pyrimidin-4-amine
PubChem CID25129168
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name6-(3-methylbutyl)-2-(2-methylpropoxy)-N-(2-methylpropyl)pyrimidin-4-amine
SMILESCC(C)CCc1cc(NCC(C)C)nc(OCC(C)C)n1
InChIInChI=1S/C17H31N3O/c1-12(2)7-8-15-9-16(18-10-13(3)4)20-17(19-15)21-11-14(5)6/h9,12-14H,7-8,10-11H2,1-6H3,(H,18,19,20)
InChIKeyNVVYPTVERJXDIN-UHFFFAOYSA-N
XLogP4.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 24994635
4-Isopropyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 42623731
4-N-butyl-5-[3-[2-methoxyethyl(methyl)amino]propyl]-6-methylpyrimidine-2,4-diamine
CID 135271018
2,4-Diisobutylamino-6-isopentylpyrimidine
CID 9994500
6-Ethyl-2,4-diisobutylaminopyrimidine
CID 25133613
4-(3-Methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 71551636
4-[3-(Ethylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 155513736
6-tert-butyl-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 25128828
6-Butyl-2,4-dipropylaminopyrimidine
CID 11276767
4-N-cyclopentyl-6-piperidin-4-ylpyrimidine-2,4-diamine
CID 118720440
N2-dimethyl-N2,N4-diisobutyl-(6-isopentyl-pyrimidin-2,4-yl)-diamine
CID 25131214
[4,6-Bis-(3-methyl-butyl)-pyrimidin-2-yl]-isobutyl-amine
CID 25128810

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutyl)-2-(2-methylpropoxy)-N-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-(3-methylbutyl)-2-(2-methylpropoxy)-N-(2-methylpropyl)pyrimidin-4-amine (CID 25129168) is 6-(3-methylbutyl)-2-(2-methylpropoxy)-N-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-methylbutyl)-2-(2-methylpropoxy)-N-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-methylbutyl)-2-(2-methylpropoxy)-N-(2-methylpropyl)pyrimidin-4-amine is CC(C)CCc1cc(NCC(C)C)nc(OCC(C)C)n1.
What is the InChIKey of 6-(3-methylbutyl)-2-(2-methylpropoxy)-N-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is NVVYPTVERJXDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-12(2)7-8-15-9-16(18-10-13(3)4)20-17(19-15)21-11-14(5)6/h9,12-14H,7-8,10-11H2,1-6H3,(H,18,19,20).
What are the key properties of 6-(3-methylbutyl)-2-(2-methylpropoxy)-N-(2-methylpropyl)pyrimidin-4-amine?
6-(3-methylbutyl)-2-(2-methylpropoxy)-N-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 293.46 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutyl)-2-(2-methylpropoxy)-N-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 25129168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).