2-N-(2-tert-butylphenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine

C20H24N4O — CID 112915200

IUPAC2-N-(2-tert-butylphenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccco2)nc(Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C20H24N4O/c1-14-12-18(21-13-15-8-7-11-25-15)24-19(22-14)23-17-10-6-5-9-16(17)20(2,3)4/h5-12H,13H2,1-4H3,(H2,21,22,23,24)
InChIKeyRGLRMSLKBOHPKD-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.03
Rot. Bonds5

About 2-N-(2-tert-butylphenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine

2-N-(2-tert-butylphenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112915200) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-N-(2-tert-butylphenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-tert-butylphenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112915200
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-N-(2-tert-butylphenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccco2)nc(Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C20H24N4O/c1-14-12-18(21-13-15-8-7-11-25-15)24-19(22-14)23-17-10-6-5-9-16(17)20(2,3)4/h5-12H,13H2,1-4H3,(H2,21,22,23,24)
InChIKeyRGLRMSLKBOHPKD-UHFFFAOYSA-N
XLogP5.03
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(furan-2-ylmethyl)-6-methyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112915228
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112915195
2-N-(2,6-difluorophenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915282
4-N-butyl-2-N-(2-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112908185
2-N-(2-tert-butylphenyl)-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112912858
4-N-(furan-2-ylmethyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915116
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112915129
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112915130
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112915161
2-N-(furan-2-ylmethyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112915354
1-[3-[[4-(furan-2-ylmethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112915231
4-N-(5-chloro-2-methylphenyl)-2-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915381

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-tert-butylphenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-tert-butylphenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine (CID 112915200) is 2-N-(2-tert-butylphenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-tert-butylphenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-tert-butylphenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(NCc2ccco2)nc(Nc2ccccc2C(C)(C)C)n1.
What is the InChIKey of 2-N-(2-tert-butylphenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is RGLRMSLKBOHPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-12-18(21-13-15-8-7-11-25-15)24-19(22-14)23-17-10-6-5-9-16(17)20(2,3)4/h5-12H,13H2,1-4H3,(H2,21,22,23,24).
What are the key properties of 2-N-(2-tert-butylphenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine?
2-N-(2-tert-butylphenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 336.44 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-tert-butylphenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112915200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).