4-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine

C20H24N4OS — CID 162673746

IUPAC4-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(-c2ccc(CNc3ccnc(NCC(C)C)n3)s2)cc1
InChIInChI=1S/C20H24N4OS/c1-14(2)12-23-20-21-11-10-19(24-20)22-13-17-8-9-18(26-17)15-4-6-16(25-3)7-5-15/h4-11,14H,12-13H2,1-3H3,(H2,21,22,23,24)
InChIKeyLPNNNEDQSCPVCC-UHFFFAOYSA-N
MW368.51 g/mol
LogP4.89
Rot. Bonds8

About 4-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine

4-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 162673746) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 4-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
PubChem CID162673746
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name4-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(-c2ccc(CNc3ccnc(NCC(C)C)n3)s2)cc1
InChIInChI=1S/C20H24N4OS/c1-14(2)12-23-20-21-11-10-19(24-20)22-13-17-8-9-18(26-17)15-4-6-16(25-3)7-5-15/h4-11,14H,12-13H2,1-3H3,(H2,21,22,23,24)
InChIKeyLPNNNEDQSCPVCC-UHFFFAOYSA-N
XLogP4.89
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

CID 76325260
CID 76325260
CID 11567324
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CID 11718798
CID 11718798
CID 16739921
CID 16739921
CID 23631944
CID 23631944
CID 49789957
CID 49789957
CID 53323184
CID 53323184
CID 53324508
CID 53324508
CID 117803889
CID 117803889
CID 118733468
CID 118733468
CID 118734183
CID 118734183
CID 2052765
CID 2052765

Frequently Asked Questions

What is the IUPAC name of 4-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine (CID 162673746) is 4-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine is COc1ccc(-c2ccc(CNc3ccnc(NCC(C)C)n3)s2)cc1.
What is the InChIKey of 4-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The InChIKey is LPNNNEDQSCPVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-14(2)12-23-20-21-11-10-19(24-20)22-13-17-8-9-18(26-17)15-4-6-16(25-3)7-5-15/h4-11,14H,12-13H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 4-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine?
4-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine has a molecular weight of 368.51 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 162673746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).