2-butan-2-yl-5,6-dimethyl-N-propylpyrimidin-4-amine

C13H23N3 — CID 62315264

IUPAC2-butan-2-yl-5,6-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)CC)nc(C)c1C
InChIInChI=1S/C13H23N3/c1-6-8-14-13-10(4)11(5)15-12(16-13)9(3)7-2/h9H,6-8H2,1-5H3,(H,14,15,16)
InChIKeyJWIJDLKENWWGRL-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.43
Rot. Bonds5

About 2-butan-2-yl-5,6-dimethyl-N-propylpyrimidin-4-amine

2-butan-2-yl-5,6-dimethyl-N-propylpyrimidin-4-amine (PubChem CID 62315264) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-butan-2-yl-5,6-dimethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-butan-2-yl-5,6-dimethyl-N-propylpyrimidin-4-amine
PubChem CID62315264
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-butan-2-yl-5,6-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)CC)nc(C)c1C
InChIInChI=1S/C13H23N3/c1-6-8-14-13-10(4)11(5)15-12(16-13)9(3)7-2/h9H,6-8H2,1-5H3,(H,14,15,16)
InChIKeyJWIJDLKENWWGRL-UHFFFAOYSA-N
XLogP3.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-butan-2-yl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299335
5-fluoro-6-methyl-2-(4-methylpentan-2-yl)-N-propylpyrimidin-4-amine
CID 114201160
4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80980995
5-iodo-2-(1-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 116503015
2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80981937
5-iodo-6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 66305735
2-butan-2-yl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 62914200
2-butan-2-yl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63719456
5-bromo-2-butan-2-yl-6-phenyl-N-propylpyrimidin-4-amine
CID 66292295
4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 104830615
4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80766465
2-(methoxymethyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 62191495

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5,6-dimethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-butan-2-yl-5,6-dimethyl-N-propylpyrimidin-4-amine (CID 62315264) is 2-butan-2-yl-5,6-dimethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-butan-2-yl-5,6-dimethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-butan-2-yl-5,6-dimethyl-N-propylpyrimidin-4-amine is CCCNc1nc(C(C)CC)nc(C)c1C.
What is the InChIKey of 2-butan-2-yl-5,6-dimethyl-N-propylpyrimidin-4-amine?
The InChIKey is JWIJDLKENWWGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-6-8-14-13-10(4)11(5)15-12(16-13)9(3)7-2/h9H,6-8H2,1-5H3,(H,14,15,16).
What are the key properties of 2-butan-2-yl-5,6-dimethyl-N-propylpyrimidin-4-amine?
2-butan-2-yl-5,6-dimethyl-N-propylpyrimidin-4-amine has a molecular weight of 221.35 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5,6-dimethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 62315264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).