2-cyclopropyl-4-N-(3-methoxy-2-methylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine

C16H28N4O — CID 80984401

IUPAC2-cyclopropyl-4-N-(3-methoxy-2-methylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C2CC2)nc(NCC(C)COC)c1C
InChIInChI=1S/C16H28N4O/c1-5-8-17-14-12(3)15(18-9-11(2)10-21-4)20-16(19-14)13-6-7-13/h11,13H,5-10H2,1-4H3,(H2,17,18,19,20)
InChIKeyAZMUDLMMRMMREY-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.18
Rot. Bonds9

About 2-cyclopropyl-4-N-(3-methoxy-2-methylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-(3-methoxy-2-methylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80984401) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(3-methoxy-2-methylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(3-methoxy-2-methylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80984401
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-cyclopropyl-4-N-(3-methoxy-2-methylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C2CC2)nc(NCC(C)COC)c1C
InChIInChI=1S/C16H28N4O/c1-5-8-17-14-12(3)15(18-9-11(2)10-21-4)20-16(19-14)13-6-7-13/h11,13H,5-10H2,1-4H3,(H2,17,18,19,20)
InChIKeyAZMUDLMMRMMREY-UHFFFAOYSA-N
XLogP3.18
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80992823
2-cyclopropyl-5-methyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80980633
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propylpyrimidin-4-amine
CID 81000575
2-cyclopropyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 80976122
2-cyclopropyl-5-methyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine
CID 102989575
2-cyclopropyl-6-(1-ethoxypropan-2-yloxy)-5-methyl-N-propylpyrimidin-4-amine
CID 103491719
2-cyclopropyl-5-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80988938
2-cyclopropyl-4-N-(3-methoxypropyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980570
2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985256
4-N-(3-methoxy-2-methylpropyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80982288
6-cyclobutyloxy-2-cyclopropyl-5-methyl-N-propylpyrimidin-4-amine
CID 80991023
2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80986619

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(3-methoxy-2-methylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(3-methoxy-2-methylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine (CID 80984401) is 2-cyclopropyl-4-N-(3-methoxy-2-methylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(3-methoxy-2-methylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(3-methoxy-2-methylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1nc(C2CC2)nc(NCC(C)COC)c1C.
What is the InChIKey of 2-cyclopropyl-4-N-(3-methoxy-2-methylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is AZMUDLMMRMMREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-8-17-14-12(3)15(18-9-11(2)10-21-4)20-16(19-14)13-6-7-13/h11,13H,5-10H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 2-cyclopropyl-4-N-(3-methoxy-2-methylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(3-methoxy-2-methylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 292.43 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(3-methoxy-2-methylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80984401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).