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

C16H28N4 — CID 80968154

IUPAC2-cyclopropyl-4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)CC(C)C)nc(C2CC2)n1
InChIInChI=1S/C16H28N4/c1-5-8-17-14-10-15(18-12(4)9-11(2)3)20-16(19-14)13-6-7-13/h10-13H,5-9H2,1-4H3,(H2,17,18,19,20)
InChIKeyAVNNDFJVRKYVGU-UHFFFAOYSA-N
MW276.43 g/mol
LogP4.02
Rot. Bonds8

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

2-cyclopropyl-4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80968154) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80968154
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-cyclopropyl-4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)CC(C)C)nc(C2CC2)n1
InChIInChI=1S/C16H28N4/c1-5-8-17-14-10-15(18-12(4)9-11(2)3)20-16(19-14)13-6-7-13/h10-13H,5-9H2,1-4H3,(H2,17,18,19,20)
InChIKeyAVNNDFJVRKYVGU-UHFFFAOYSA-N
XLogP4.02
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 54.02
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
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
4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80783948
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80959196
2-cyclopropyl-6-(3-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80963301
6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine
CID 80783247
2-cyclopropyl-4-N-(3-propoxypropyl)-6-N-propylpyrimidine-4,6-diamine
CID 82941617
3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366436
2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine
CID 80966841
2-(4-ethylcyclohexyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65391131

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine (CID 80968154) is 2-cyclopropyl-4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC(C)CC(C)C)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is AVNNDFJVRKYVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-8-17-14-10-15(18-12(4)9-11(2)3)20-16(19-14)13-6-7-13/h10-13H,5-9H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 2-cyclopropyl-4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 4.02, 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-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80968154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).