2-tert-butyl-4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-4,6-diamine

C17H30N4 — CID 80961049

IUPAC2-tert-butyl-4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC2CC2)C(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C17H30N4/c1-7-18-14-10-15(20-16(19-14)17(4,5)6)21(12(2)3)11-13-8-9-13/h10,12-13H,7-9,11H2,1-6H3,(H,18,19,20)
InChIKeyVGCLDDNTPPHXFA-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.83
Rot. Bonds6

About 2-tert-butyl-4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-4,6-diamine

2-tert-butyl-4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80961049) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80961049
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name2-tert-butyl-4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC2CC2)C(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C17H30N4/c1-7-18-14-10-15(20-16(19-14)17(4,5)6)21(12(2)3)11-13-8-9-13/h10,12-13H,7-9,11H2,1-6H3,(H,18,19,20)
InChIKeyVGCLDDNTPPHXFA-UHFFFAOYSA-N
XLogP3.83
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
CID 80820583
2-tert-butyl-4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967633
2-tert-butyl-6-N-ethyl-4-N-(2-methoxyethyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 82942891
4-N-(cyclopropylmethyl)-2-N-ethyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80821555
2-tert-butyl-4-N-cyclopropyl-4-N,6-N-diethylpyrimidine-4,6-diamine
CID 80968134
4-N-(cyclopropylmethyl)-4-N,6-N-diethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772085
4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770982
2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 104557046
4-N-(cyclopropylmethyl)-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80821545
N-(cyclopropylmethyl)-6-hydrazinyl-2-methyl-N-propan-2-ylpyrimidin-4-amine
CID 80905091
2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol
CID 80962129
2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol
CID 102875677

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 80961049) is 2-tert-butyl-4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-4,6-diamine is CCNc1cc(N(CC2CC2)C(C)C)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is VGCLDDNTPPHXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-7-18-14-10-15(20-16(19-14)17(4,5)6)21(12(2)3)11-13-8-9-13/h10,12-13H,7-9,11H2,1-6H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 290.46 g/mol, XLogP of 3.83, 6 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-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80961049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).