2-tert-butyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine

C17H30N4 — CID 80960225

IUPAC2-tert-butyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)CC2CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C17H30N4/c1-6-9-18-14-11-15(19-12(2)10-13-7-8-13)21-16(20-14)17(3,4)5/h11-13H,6-10H2,1-5H3,(H2,18,19,20,21)
InChIKeySGYPQJNBUHJTIZ-UHFFFAOYSA-N
MW290.46 g/mol
LogP4.20
Rot. Bonds7

About 2-tert-butyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine

2-tert-butyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80960225) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80960225
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name2-tert-butyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)CC2CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C17H30N4/c1-6-9-18-14-11-15(19-12(2)10-13-7-8-13)21-16(20-14)17(3,4)5/h11-13H,6-10H2,1-5H3,(H2,18,19,20,21)
InChIKeySGYPQJNBUHJTIZ-UHFFFAOYSA-N
XLogP4.20
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80959925
4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine
CID 80956340
2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955654
2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955764
2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967541
2-tert-butyl-4-N-(2-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80960854
4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770408
2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 106332144
methyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80961991
2-cyclopropyl-4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80968154
2-tert-butyl-4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80958677
4-N-(1-cyclopropylbutan-2-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80835871

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine (CID 80960225) is 2-tert-butyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC(C)CC2CC2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is SGYPQJNBUHJTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-6-9-18-14-11-15(19-12(2)10-13-7-8-13)21-16(20-14)17(3,4)5/h11-13H,6-10H2,1-5H3,(H2,18,19,20,21).
What are the key properties of 2-tert-butyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 290.46 g/mol, XLogP of 4.20, 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-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80960225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).