cyclopropyl-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl]methanol

C19H22N4O4 — CID 10292568

IUPACcyclopropyl-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl]methanol
SMILESCOc1cc(Cc2cnc(N)nc2N)c2cc(C(O)C3CC3)oc2c1OC
InChIInChI=1S/C19H22N4O4/c1-25-14-6-10(5-11-8-22-19(21)23-18(11)20)12-7-13(15(24)9-3-4-9)27-16(12)17(14)26-2/h6-9,15,24H,3-5H2,1-2H3,(H4,20,21,22,23)
InChIKeyYCTLSRXGAPBRCF-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.44
Rot. Bonds6

About cyclopropyl-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl]methanol

cyclopropyl-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl]methanol (PubChem CID 10292568) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is cyclopropyl-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl]methanol.

Molecular Properties

Compound Namecyclopropyl-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl]methanol
PubChem CID10292568
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Namecyclopropyl-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl]methanol
SMILESCOc1cc(Cc2cnc(N)nc2N)c2cc(C(O)C3CC3)oc2c1OC
InChIInChI=1S/C19H22N4O4/c1-25-14-6-10(5-11-8-22-19(21)23-18(11)20)12-7-13(15(24)9-3-4-9)27-16(12)17(14)26-2/h6-9,15,24H,3-5H2,1-2H3,(H4,20,21,22,23)
InChIKeyYCTLSRXGAPBRCF-UHFFFAOYSA-N
XLogP2.44
TPSA129.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze cyclopropyl-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl]methanol with MolForge

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Related Compounds

5-[[2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine
CID 10182389
5-[[6,7-dimethoxy-2-(2-phenyl-1,3-dioxolan-2-yl)-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine
CID 22180855
5-[[3-[(1S)-1-cyclopropylbut-3-enoxy]-4,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine
CID 46702163
5-[[6,7-dimethoxy-2-(thiophen-3-ylmethyl)-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine
CID 10157584
2-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl]benzaldehyde
CID 87951352
N-[4-[[4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl]methylsulfanyl]phenyl]acetamide
CID 10299411
[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]methanol
CID 70937972
3-[[4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl]methyl]-5-fluoro-N,N-dimethyl-1H-indole-2-carboxamide
CID 11226132
ethyl 6-[(2,4-diaminopyrimidin-5-yl)methyl]-5,8-dimethoxy-1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 23323072
5-[(4-amino-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 21280986
5-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 12752253
4-chloro-2-[[4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl]methylamino]-N,N-dimethylbenzamide;5-chloro-2-[[4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl]methylamino]-N,N-dimethylbenzamide
CID 87845045

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl]methanol?
The IUPAC name of cyclopropyl-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl]methanol (CID 10292568) is cyclopropyl-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl]methanol.
What is the SMILES notation for cyclopropyl-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl]methanol?
The canonical SMILES for cyclopropyl-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl]methanol is COc1cc(Cc2cnc(N)nc2N)c2cc(C(O)C3CC3)oc2c1OC.
What is the InChIKey of cyclopropyl-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl]methanol?
The InChIKey is YCTLSRXGAPBRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-25-14-6-10(5-11-8-22-19(21)23-18(11)20)12-7-13(15(24)9-3-4-9)27-16(12)17(14)26-2/h6-9,15,24H,3-5H2,1-2H3,(H4,20,21,22,23).
What are the key properties of cyclopropyl-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl]methanol?
cyclopropyl-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl]methanol has a molecular weight of 370.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl]methanol is sourced from PubChem (CID 10292568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).