N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine

C26H36N4O3 — CID 68782560

IUPACN-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine
SMILESC=CCOc1cc(CN2CCC(Nc3ncc4c(n3)C(C)(C)OC4(C)C)CC2)ccc1OC
InChIInChI=1S/C26H36N4O3/c1-7-14-32-22-15-18(8-9-21(22)31-6)17-30-12-10-19(11-13-30)28-24-27-16-20-23(29-24)26(4,5)33-25(20,2)3/h7-9,15-16,19H,1,10-14,17H2,2-6H3,(H,27,28,29)
InChIKeyMHVFWCGQYULVKY-UHFFFAOYSA-N
MW452.60 g/mol
LogP4.63
Rot. Bonds8

About N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine

N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine (PubChem CID 68782560) has the molecular formula C26H36N4O3 and a molecular weight of 452.60 g/mol. Its IUPAC name is N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine
PubChem CID68782560
Molecular FormulaC26H36N4O3
Molecular Weight452.60 g/mol
Exact Mass452.28
IUPAC NameN-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine
SMILESC=CCOc1cc(CN2CCC(Nc3ncc4c(n3)C(C)(C)OC4(C)C)CC2)ccc1OC
InChIInChI=1S/C26H36N4O3/c1-7-14-32-22-15-18(8-9-21(22)31-6)17-30-12-10-19(11-13-30)28-24-27-16-20-23(29-24)26(4,5)33-25(20,2)3/h7-9,15-16,19H,1,10-14,17H2,2-6H3,(H,27,28,29)
InChIKeyMHVFWCGQYULVKY-UHFFFAOYSA-N
XLogP4.63
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine
CID 68782738
N-[1-[(8-ethoxy-2,2-dimethylchromen-6-yl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine
CID 68780648
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-ethylpyrimidin-2-amine
CID 68781049
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-propylpyrimidin-2-amine
CID 68779447
5-(3,4-dimethoxyphenyl)-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 68787116
8-chloro-N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]quinolin-2-amine
CID 67402123
7-chloro-N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]quinolin-4-amine
CID 67195433
N-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5-(4-methoxyphenyl)pyrimidin-2-amine
CID 68781594
5-bromo-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyridin-2-amine
CID 24855078
N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 141184288
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 47054672
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-nitro-1,3-benzoxazol-2-amine
CID 46882579

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine?
The IUPAC name of N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine (CID 68782560) is N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine is C=CCOc1cc(CN2CCC(Nc3ncc4c(n3)C(C)(C)OC4(C)C)CC2)ccc1OC.
What is the InChIKey of N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine?
The InChIKey is MHVFWCGQYULVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O3/c1-7-14-32-22-15-18(8-9-21(22)31-6)17-30-12-10-19(11-13-30)28-24-27-16-20-23(29-24)26(4,5)33-25(20,2)3/h7-9,15-16,19H,1,10-14,17H2,2-6H3,(H,27,28,29).
What are the key properties of N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine?
N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine has a molecular weight of 452.60 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 68782560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).