4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine

C13H23N3 — CID 138487090

IUPAC4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine
SMILESCCN(CC)c1nc(C)cc(C(C)(C)C)n1
InChIInChI=1S/C13H23N3/c1-7-16(8-2)12-14-10(3)9-11(15-12)13(4,5)6/h9H,7-8H2,1-6H3
InChIKeyVZJHVTIWDDRTKO-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.93
Rot. Bonds3

About 4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine

4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine (PubChem CID 138487090) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine
PubChem CID138487090
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine
SMILESCCN(CC)c1nc(C)cc(C(C)(C)C)n1
InChIInChI=1S/C13H23N3/c1-7-16(8-2)12-14-10(3)9-11(15-12)13(4,5)6/h9H,7-8H2,1-6H3
InChIKeyVZJHVTIWDDRTKO-UHFFFAOYSA-N
XLogP2.93
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4,6-dimethylpyrimidin-2-amine;ethane;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173412353
1-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 79390171
N-tert-butyl-2-(diethylamino)-6-methylpyrimidine-4-carboxamide
CID 109332208
2-N,2-N-diethyl-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916376
2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]ethanol
CID 61147655
2,4-ditert-butyl-6-methylpyrimidine
CID 22950955
2-N,2-N-diethyl-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907755
2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]acetic acid
CID 61012125
4-N-butyl-2-N,2-N-diethyl-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112924207
4-tert-butyl-2-(2-chloroethyl)-6-methylpyrimidine
CID 116893734
N,N-diethyl-4-methyl-6-piperazin-1-ylpyrimidin-2-amine
CID 83726827
[[2-(diethylamino)-6-methylpyrimidin-4-yl]-dimethyl-λ4-sulfanyl]phosphonic acid
CID 57164687

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine?
The IUPAC name of 4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine (CID 138487090) is 4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine is CCN(CC)c1nc(C)cc(C(C)(C)C)n1.
What is the InChIKey of 4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine?
The InChIKey is VZJHVTIWDDRTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-7-16(8-2)12-14-10(3)9-11(15-12)13(4,5)6/h9H,7-8H2,1-6H3.
What are the key properties of 4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine?
4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine is sourced from PubChem (CID 138487090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).