4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-prop-1-ynylpyrimidin-2-amine

C24H25N3O3 — CID 164907972

IUPAC4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-prop-1-ynylpyrimidin-2-amine
SMILESCC#Cc1cnc(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)nc1OC
InChIInChI=1S/C24H25N3O3/c1-5-6-20-15-25-24(26-23(20)30-4)27(16-18-7-11-21(28-2)12-8-18)17-19-9-13-22(29-3)14-10-19/h7-15H,16-17H2,1-4H3
InChIKeyTUYLBAPDPDWCJD-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.08
Rot. Bonds8

About 4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-prop-1-ynylpyrimidin-2-amine

4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-prop-1-ynylpyrimidin-2-amine (PubChem CID 164907972) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-prop-1-ynylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-prop-1-ynylpyrimidin-2-amine
PubChem CID164907972
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-prop-1-ynylpyrimidin-2-amine
SMILESCC#Cc1cnc(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)nc1OC
InChIInChI=1S/C24H25N3O3/c1-5-6-20-15-25-24(26-23(20)30-4)27(16-18-7-11-21(28-2)12-8-18)17-19-9-13-22(29-3)14-10-19/h7-15H,16-17H2,1-4H3
InChIKeyTUYLBAPDPDWCJD-UHFFFAOYSA-N
XLogP4.08
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-5-[(E)-2-methoxyethenyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 177249845
5-(3,3-difluoropropoxy)-4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 164908203
6-chloro-5-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 170733731
1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone
CID 67294293
5-(2,2-difluoroethoxy)-4,6-dimethoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 164908191
5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 133384195
4-(aminomethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 134264948
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
N,N-bis[(4-methoxyphenyl)methyl]pyrazin-2-amine
CID 175520241
N-benzyl-5-bromo-4-methoxy-N-propylpyrimidin-2-amine
CID 106998746
5-(2,2-difluoropropyl)-N,N-bis[(2,4-dimethoxyphenyl)methyl]-4-methoxypyrimidin-2-amine
CID 164908037
4-chloro-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
CID 59548209

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-prop-1-ynylpyrimidin-2-amine?
The IUPAC name of 4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-prop-1-ynylpyrimidin-2-amine (CID 164907972) is 4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-prop-1-ynylpyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-prop-1-ynylpyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-prop-1-ynylpyrimidin-2-amine is CC#Cc1cnc(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)nc1OC.
What is the InChIKey of 4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-prop-1-ynylpyrimidin-2-amine?
The InChIKey is TUYLBAPDPDWCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-5-6-20-15-25-24(26-23(20)30-4)27(16-18-7-11-21(28-2)12-8-18)17-19-9-13-22(29-3)14-10-19/h7-15H,16-17H2,1-4H3.
What are the key properties of 4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-prop-1-ynylpyrimidin-2-amine?
4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-prop-1-ynylpyrimidin-2-amine has a molecular weight of 403.48 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-prop-1-ynylpyrimidin-2-amine is sourced from PubChem (CID 164907972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).