6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine

C14H25N3O — CID 83143319

IUPAC6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
SMILESCC(C)Oc1cc(NCC(C)C(C)(C)C)ncn1
InChIInChI=1S/C14H25N3O/c1-10(2)18-13-7-12(16-9-17-13)15-8-11(3)14(4,5)6/h7,9-11H,8H2,1-6H3,(H,15,16,17)
InChIKeyASVMYHHQDBYYSY-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.36
Rot. Bonds5

About 6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine

6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine (PubChem CID 83143319) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
PubChem CID83143319
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
SMILESCC(C)Oc1cc(NCC(C)C(C)(C)C)ncn1
InChIInChI=1S/C14H25N3O/c1-10(2)18-13-7-12(16-9-17-13)15-8-11(3)14(4,5)6/h7,9-11H,8H2,1-6H3,(H,15,16,17)
InChIKeyASVMYHHQDBYYSY-UHFFFAOYSA-N
XLogP3.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1-trifluoro-3-[(6-propan-2-yloxypyrimidin-4-yl)amino]propan-2-ol
CID 114093682
N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334042
3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 66329217
2-ethyl-1-N-(6-propan-2-yloxypyrimidin-4-yl)butane-1,2-diamine
CID 113283234
3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106115719
2-[(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid
CID 66334030
N-[(2-methoxyphenyl)methyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66327152
4-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenol
CID 114332586
1-N-(6-ethoxypyrimidin-4-yl)-3-methylbutane-1,2-diamine
CID 66319691
N',N'-diethyl-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine
CID 66325096
N-[2-(4-aminophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66331408
N-[[1-(aminomethyl)cyclopentyl]methyl]-6-propan-2-yloxypyrimidin-4-amine
CID 115365986

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine?
The IUPAC name of 6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine (CID 83143319) is 6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine?
The canonical SMILES for 6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine is CC(C)Oc1cc(NCC(C)C(C)(C)C)ncn1.
What is the InChIKey of 6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine?
The InChIKey is ASVMYHHQDBYYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(2)18-13-7-12(16-9-17-13)15-8-11(3)14(4,5)6/h7,9-11H,8H2,1-6H3,(H,15,16,17).
What are the key properties of 6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine?
6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine has a molecular weight of 251.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 83143319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).