5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-6-ethylpyrimidine-2,4-diamine

C18H26N4O2 — CID 67334066

IUPAC5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-6-ethylpyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1Cc1cc(OC)c(OC)cc1C(C)C
InChIInChI=1S/C18H26N4O2/c1-6-14-13(17(19)22-18(20)21-14)7-11-8-15(23-4)16(24-5)9-12(11)10(2)3/h8-10H,6-7H2,1-5H3,(H4,19,20,21,22)
InChIKeyVXLKIGIMPNRETN-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.93
Rot. Bonds6

About 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-6-ethylpyrimidine-2,4-diamine

5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-6-ethylpyrimidine-2,4-diamine (PubChem CID 67334066) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-6-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-6-ethylpyrimidine-2,4-diamine
PubChem CID67334066
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-6-ethylpyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1Cc1cc(OC)c(OC)cc1C(C)C
InChIInChI=1S/C18H26N4O2/c1-6-14-13(17(19)22-18(20)21-14)7-11-8-15(23-4)16(24-5)9-12(11)10(2)3/h8-10H,6-7H2,1-5H3,(H4,19,20,21,22)
InChIKeyVXLKIGIMPNRETN-UHFFFAOYSA-N
XLogP2.93
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-6-ethylpyrimidine-2,4-diamine?
The IUPAC name of 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-6-ethylpyrimidine-2,4-diamine (CID 67334066) is 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-6-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-6-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-6-ethylpyrimidine-2,4-diamine is CCc1nc(N)nc(N)c1Cc1cc(OC)c(OC)cc1C(C)C.
What is the InChIKey of 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-6-ethylpyrimidine-2,4-diamine?
The InChIKey is VXLKIGIMPNRETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-6-14-13(17(19)22-18(20)21-14)7-11-8-15(23-4)16(24-5)9-12(11)10(2)3/h8-10H,6-7H2,1-5H3,(H4,19,20,21,22).
What are the key properties of 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-6-ethylpyrimidine-2,4-diamine?
5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-6-ethylpyrimidine-2,4-diamine has a molecular weight of 330.43 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-6-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 67334066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).