4-butoxy-5-methyl-N-propylpyrimidin-2-amine

C12H21N3O — CID 80867481

IUPAC4-butoxy-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCCOc1nc(NCCC)ncc1C
InChIInChI=1S/C12H21N3O/c1-4-6-8-16-11-10(3)9-14-12(15-11)13-7-5-2/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyOFSVBVJWWDLPNV-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.79
Rot. Bonds7

About 4-butoxy-5-methyl-N-propylpyrimidin-2-amine

4-butoxy-5-methyl-N-propylpyrimidin-2-amine (PubChem CID 80867481) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-butoxy-5-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-butoxy-5-methyl-N-propylpyrimidin-2-amine
PubChem CID80867481
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-butoxy-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCCOc1nc(NCCC)ncc1C
InChIInChI=1S/C12H21N3O/c1-4-6-8-16-11-10(3)9-14-12(15-11)13-7-5-2/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyOFSVBVJWWDLPNV-UHFFFAOYSA-N
XLogP2.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(dimethylamino)ethoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 80871082
4-[2-(2-methoxyethoxy)ethoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 104568288
4-[2-[di(propan-2-yl)amino]ethoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 115506001
5-methyl-N-propyl-4-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine
CID 80868216
5-bromo-4-propoxy-N-propylpyrimidin-2-amine
CID 80865318
2-[2-(ethylamino)-5-methylpyrimidin-4-yl]oxyethanol
CID 80859751
3-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80865636
4-[(2-bromophenyl)methoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 82826084
4-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80875789
3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80866703
4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 102989227
5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine
CID 80858542

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-5-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-butoxy-5-methyl-N-propylpyrimidin-2-amine (CID 80867481) is 4-butoxy-5-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-butoxy-5-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-butoxy-5-methyl-N-propylpyrimidin-2-amine is CCCCOc1nc(NCCC)ncc1C.
What is the InChIKey of 4-butoxy-5-methyl-N-propylpyrimidin-2-amine?
The InChIKey is OFSVBVJWWDLPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-6-8-16-11-10(3)9-14-12(15-11)13-7-5-2/h9H,4-8H2,1-3H3,(H,13,14,15).
What are the key properties of 4-butoxy-5-methyl-N-propylpyrimidin-2-amine?
4-butoxy-5-methyl-N-propylpyrimidin-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-5-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80867481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).