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

C16H26N4 — CID 80959925

IUPAC2-cyclopropyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)CC2CC2)nc(C2CC2)n1
InChIInChI=1S/C16H26N4/c1-3-8-17-14-10-15(18-11(2)9-12-4-5-12)20-16(19-14)13-6-7-13/h10-13H,3-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyCRGOLFYTTKBYBT-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.78
Rot. Bonds8

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

2-cyclopropyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80959925) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80959925
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name2-cyclopropyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)CC2CC2)nc(C2CC2)n1
InChIInChI=1S/C16H26N4/c1-3-8-17-14-10-15(18-11(2)9-12-4-5-12)20-16(19-14)13-6-7-13/h10-13H,3-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyCRGOLFYTTKBYBT-UHFFFAOYSA-N
XLogP3.78
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80960225
2-cyclopropyl-4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80968154
2-cyclopropyl-4-N-(3-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80960990
2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80967928
2-(4-ethylcyclohexyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65391131
6-ethyl-2-(4-ethylcyclohexyl)-N-propylpyrimidin-4-amine
CID 65390933
2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80959196
2-cyclopropyl-4-N-(3-propoxypropyl)-6-N-propylpyrimidine-4,6-diamine
CID 82941617
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
2-cyclopropyl-6-(3-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80963301
3-[[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80959366
3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366436

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine (CID 80959925) is 2-cyclopropyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC(C)CC2CC2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is CRGOLFYTTKBYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-3-8-17-14-10-15(18-11(2)9-12-4-5-12)20-16(19-14)13-6-7-13/h10-13H,3-9H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-cyclopropyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 274.41 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80959925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).