5-[[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine

C15H21N7O2 — CID 50966673

IUPAC5-[[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine
SMILESCOc1cc(N2CCN(Cc3cnc(N)nc3)CC2)nc(OC)n1
InChIInChI=1S/C15H21N7O2/c1-23-13-7-12(19-15(20-13)24-2)22-5-3-21(4-6-22)10-11-8-17-14(16)18-9-11/h7-9H,3-6,10H2,1-2H3,(H2,16,17,18)
InChIKeyOAPSWGXDWBXGGO-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.19
Rot. Bonds5

About 5-[[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine

5-[[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine (PubChem CID 50966673) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-[[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine
PubChem CID50966673
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Name5-[[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine
SMILESCOc1cc(N2CCN(Cc3cnc(N)nc3)CC2)nc(OC)n1
InChIInChI=1S/C15H21N7O2/c1-23-13-7-12(19-15(20-13)24-2)22-5-3-21(4-6-22)10-11-8-17-14(16)18-9-11/h7-9H,3-6,10H2,1-2H3,(H2,16,17,18)
InChIKeyOAPSWGXDWBXGGO-UHFFFAOYSA-N
XLogP0.19
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

2-[4-(2-amino-6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanol
CID 113268082
4-methoxy-6-[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]pyrimidin-2-amine
CID 155498675
5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrimidin-2-amine
CID 50948434
6-[4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine
CID 56715150
2-methoxy-5-(piperidin-1-ylmethyl)pyrimidine
CID 163258215
4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 154575770
1-[(6-methoxy-3-pyridinyl)methyl]-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine
CID 140872403
4-[4-(benzenesulfonyl)piperazin-1-yl]-2,6-dimethoxypyrimidine
CID 42154688
4-ethyl-2-methoxy-6-pyrrolidin-1-ylpyrimidine
CID 178092241
4,6-dimethoxy-2-[[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methyl]pyrimidine
CID 24734018
4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine
CID 146074484
(4R)-1-(2,6-dimethoxypyrimidin-4-yl)-4-pyrrolidin-1-ylazepane
CID 143453292

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-[[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine (CID 50966673) is 5-[[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine is COc1cc(N2CCN(Cc3cnc(N)nc3)CC2)nc(OC)n1.
What is the InChIKey of 5-[[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine?
The InChIKey is OAPSWGXDWBXGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2/c1-23-13-7-12(19-15(20-13)24-2)22-5-3-21(4-6-22)10-11-8-17-14(16)18-9-11/h7-9H,3-6,10H2,1-2H3,(H2,16,17,18).
What are the key properties of 5-[[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine?
5-[[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine has a molecular weight of 331.38 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 50966673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).