2-tert-butyl-4-N-cyclopropyl-4-N,6-N-dipropylpyrimidine-4,6-diamine

C17H30N4 — CID 80960352

IUPAC2-tert-butyl-4-N-cyclopropyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(CCC)C2CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C17H30N4/c1-6-10-18-14-12-15(20-16(19-14)17(3,4)5)21(11-7-2)13-8-9-13/h12-13H,6-11H2,1-5H3,(H,18,19,20)
InChIKeyDPSHUFVLAGNWDF-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.97
Rot. Bonds7

About 2-tert-butyl-4-N-cyclopropyl-4-N,6-N-dipropylpyrimidine-4,6-diamine

2-tert-butyl-4-N-cyclopropyl-4-N,6-N-dipropylpyrimidine-4,6-diamine (PubChem CID 80960352) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 2-tert-butyl-4-N-cyclopropyl-4-N,6-N-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-cyclopropyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
PubChem CID80960352
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name2-tert-butyl-4-N-cyclopropyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(CCC)C2CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C17H30N4/c1-6-10-18-14-12-15(20-16(19-14)17(3,4)5)21(11-7-2)13-8-9-13/h12-13H,6-11H2,1-5H3,(H,18,19,20)
InChIKeyDPSHUFVLAGNWDF-UHFFFAOYSA-N
XLogP3.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol
CID 80962129
2-tert-butyl-4-N-cyclopropyl-4-N,6-N-diethylpyrimidine-4,6-diamine
CID 80968134
2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol
CID 102875677
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol
CID 80960291
2-tert-butyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 82751277
4-N-cyclopropyl-2-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80940294
4-N,4-N,6-N-tripropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770292
2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102875864
2-[cyclopentyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80809845
2-tert-butyl-4-N-(1-methoxypropan-2-yl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80961967
2-[cyclohexyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80787099
2-tert-butyl-6-(2-cyclobutylethoxy)-N-propylpyrimidin-4-amine
CID 106207657

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-cyclopropyl-4-N,6-N-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-cyclopropyl-4-N,6-N-dipropylpyrimidine-4,6-diamine (CID 80960352) is 2-tert-butyl-4-N-cyclopropyl-4-N,6-N-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-cyclopropyl-4-N,6-N-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-cyclopropyl-4-N,6-N-dipropylpyrimidine-4,6-diamine is CCCNc1cc(N(CCC)C2CC2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-cyclopropyl-4-N,6-N-dipropylpyrimidine-4,6-diamine?
The InChIKey is DPSHUFVLAGNWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-6-10-18-14-12-15(20-16(19-14)17(3,4)5)21(11-7-2)13-8-9-13/h12-13H,6-11H2,1-5H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-4-N-cyclopropyl-4-N,6-N-dipropylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-cyclopropyl-4-N,6-N-dipropylpyrimidine-4,6-diamine has a molecular weight of 290.46 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-cyclopropyl-4-N,6-N-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 80960352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).