2-(1-methoxybutyl)-6-propan-2-ylpyrimidin-4-amine

C12H21N3O — CID 116728648

IUPAC2-(1-methoxybutyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCCCC(OC)c1nc(N)cc(C(C)C)n1
InChIInChI=1S/C12H21N3O/c1-5-6-10(16-4)12-14-9(8(2)3)7-11(13)15-12/h7-8,10H,5-6H2,1-4H3,(H2,13,14,15)
InChIKeyPYXUARIMTMPVII-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.67
Rot. Bonds5

About 2-(1-methoxybutyl)-6-propan-2-ylpyrimidin-4-amine

2-(1-methoxybutyl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 116728648) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(1-methoxybutyl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-methoxybutyl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID116728648
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(1-methoxybutyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCCCC(OC)c1nc(N)cc(C(C)C)n1
InChIInChI=1S/C12H21N3O/c1-5-6-10(16-4)12-14-9(8(2)3)7-11(13)15-12/h7-8,10H,5-6H2,1-4H3,(H2,13,14,15)
InChIKeyPYXUARIMTMPVII-UHFFFAOYSA-N
XLogP2.67
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methoxyethyl)-6-propan-2-ylpyrimidin-4-amine
CID 79617094
4-(1-methoxybutyl)-6-methyl-1,3,5-triazin-2-amine
CID 116734001
5-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811752
6-ethyl-5-iodo-2-(1-methoxybutyl)pyrimidin-4-amine
CID 116729582
6-propan-2-ylpyrimidine-2,4-diamine
CID 12655163
6-ethyl-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine
CID 116728869
5-bromo-4-chloro-2-(1-methoxybutyl)-6-propan-2-ylpyrimidine
CID 116706495
2-(1-ethoxybutyl)-6-phenylpyrimidin-4-amine
CID 116728590
2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116728659
2-chloro-5-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116702452
2-bromo-5-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813831
5-ethyl-3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 116702712

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxybutyl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(1-methoxybutyl)-6-propan-2-ylpyrimidin-4-amine (CID 116728648) is 2-(1-methoxybutyl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-methoxybutyl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(1-methoxybutyl)-6-propan-2-ylpyrimidin-4-amine is CCCC(OC)c1nc(N)cc(C(C)C)n1.
What is the InChIKey of 2-(1-methoxybutyl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is PYXUARIMTMPVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-6-10(16-4)12-14-9(8(2)3)7-11(13)15-12/h7-8,10H,5-6H2,1-4H3,(H2,13,14,15).
What are the key properties of 2-(1-methoxybutyl)-6-propan-2-ylpyrimidin-4-amine?
2-(1-methoxybutyl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxybutyl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 116728648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).