4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6-methylpyrimidin-2-amine

C18H25N5O2 — CID 3228744

IUPAC4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6-methylpyrimidin-2-amine
SMILESCOc1cccc(CN2CCN(c3cc(C)nc(N)n3)CC2)c1OC
InChIInChI=1S/C18H25N5O2/c1-13-11-16(21-18(19)20-13)23-9-7-22(8-10-23)12-14-5-4-6-15(24-2)17(14)25-3/h4-6,11H,7-10,12H2,1-3H3,(H2,19,20,21)
InChIKeyZQGVNSNXDWMJKW-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.71
Rot. Bonds5

About 4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6-methylpyrimidin-2-amine

4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6-methylpyrimidin-2-amine (PubChem CID 3228744) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6-methylpyrimidin-2-amine
PubChem CID3228744
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6-methylpyrimidin-2-amine
SMILESCOc1cccc(CN2CCN(c3cc(C)nc(N)n3)CC2)c1OC
InChIInChI=1S/C18H25N5O2/c1-13-11-16(21-18(19)20-13)23-9-7-22(8-10-23)12-14-5-4-6-15(24-2)17(14)25-3/h4-6,11H,7-10,12H2,1-3H3,(H2,19,20,21)
InChIKeyZQGVNSNXDWMJKW-UHFFFAOYSA-N
XLogP1.71
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(furan-2-ylmethyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 56810604
1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
CID 770198
2-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol
CID 2223715
1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine
CID 1126217
4-methyl-6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine
CID 146088403
1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 17366969
N-[6-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 42857454
4-methyl-6-[4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]pyrimidin-2-amine
CID 50965423
4-methyl-6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 50979339
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112724317
4-bromo-2-[[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]phenol
CID 1148381
1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 791258

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6-methylpyrimidin-2-amine (CID 3228744) is 4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6-methylpyrimidin-2-amine is COc1cccc(CN2CCN(c3cc(C)nc(N)n3)CC2)c1OC.
What is the InChIKey of 4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6-methylpyrimidin-2-amine?
The InChIKey is ZQGVNSNXDWMJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13-11-16(21-18(19)20-13)23-9-7-22(8-10-23)12-14-5-4-6-15(24-2)17(14)25-3/h4-6,11H,7-10,12H2,1-3H3,(H2,19,20,21).
What are the key properties of 4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6-methylpyrimidin-2-amine?
4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6-methylpyrimidin-2-amine has a molecular weight of 343.43 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 3228744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).