2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine

C17H32N4 — CID 106332144

IUPAC2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)(CC)CC)nc(C(C)(C)C)n1
InChIInChI=1S/C17H32N4/c1-8-11-18-13-12-14(21-17(7,9-2)10-3)20-15(19-13)16(4,5)6/h12H,8-11H2,1-7H3,(H2,18,19,20,21)
InChIKeyGYKKNOLXIBHRSD-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.59
Rot. Bonds7

About 2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine

2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 106332144) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID106332144
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)(CC)CC)nc(C(C)(C)C)n1
InChIInChI=1S/C17H32N4/c1-8-11-18-13-12-14(21-17(7,9-2)10-3)20-15(19-13)16(4,5)6/h12H,8-11H2,1-7H3,(H2,18,19,20,21)
InChIKeyGYKKNOLXIBHRSD-UHFFFAOYSA-N
XLogP4.59
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955764
2-tert-butyl-4-N-propylpyrimidine-4,6-diamine
CID 80957078
4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine
CID 80956340
6-N-(3-methylpentan-3-yl)-4-nitro-2-N-propylpyridine-2,6-diamine
CID 106332099
2-tert-butyl-6-(2-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80966505
2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955654
2-tert-butyl-4-N-(2-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80960854
3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179363
2-tert-butyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80960225
2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967541
3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
CID 106179075
3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80958635

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine (CID 106332144) is 2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC(C)(CC)CC)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is GYKKNOLXIBHRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-8-11-18-13-12-14(21-17(7,9-2)10-3)20-15(19-13)16(4,5)6/h12H,8-11H2,1-7H3,(H2,18,19,20,21).
What are the key properties of 2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 292.47 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 106332144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).