(1S,2R,4R)-4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentan-1-ol

C25H33N5O4 — CID 70644122

IUPAC(1S,2R,4R)-4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentan-1-ol
SMILESCCOc1cc2cc(-c3c(C)nc(NCC4CC4)nc3N[C@@H]3C[C@H](CO)[C@@H](O)C3)oc2c(C)n1
InChIInChI=1S/C25H33N5O4/c1-4-33-21-9-16-8-20(34-23(16)14(3)27-21)22-13(2)28-25(26-11-15-5-6-15)30-24(22)29-18-7-17(12-31)19(32)10-18/h8-9,15,17-19,31-32H,4-7,10-12H2,1-3H3,(H2,26,28,29,30)/t17-,18-,19+/m1/s1
InChIKeyGRCYJPANRPXMIK-QRVBRYPASA-N
MW467.57 g/mol
LogP3.67
Rot. Bonds9

About (1S,2R,4R)-4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentan-1-ol

(1S,2R,4R)-4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentan-1-ol (PubChem CID 70644122) has the molecular formula C25H33N5O4 and a molecular weight of 467.57 g/mol. Its IUPAC name is (1S,2R,4R)-4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2R,4R)-4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentan-1-ol
PubChem CID70644122
Molecular FormulaC25H33N5O4
Molecular Weight467.57 g/mol
Exact Mass467.25
IUPAC Name(1S,2R,4R)-4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentan-1-ol
SMILESCCOc1cc2cc(-c3c(C)nc(NCC4CC4)nc3N[C@@H]3C[C@H](CO)[C@@H](O)C3)oc2c(C)n1
InChIInChI=1S/C25H33N5O4/c1-4-33-21-9-16-8-20(34-23(16)14(3)27-21)22-13(2)28-25(26-11-15-5-6-15)30-24(22)29-18-7-17(12-31)19(32)10-18/h8-9,15,17-19,31-32H,4-7,10-12H2,1-3H3,(H2,26,28,29,30)/t17-,18-,19+/m1/s1
InChIKeyGRCYJPANRPXMIK-QRVBRYPASA-N
XLogP3.67
TPSA125.56 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (1S,2R,4R)-4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentan-1-ol?
The IUPAC name of (1S,2R,4R)-4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentan-1-ol (CID 70644122) is (1S,2R,4R)-4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentan-1-ol.
What is the SMILES notation for (1S,2R,4R)-4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentan-1-ol?
The canonical SMILES for (1S,2R,4R)-4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentan-1-ol is CCOc1cc2cc(-c3c(C)nc(NCC4CC4)nc3N[C@@H]3C[C@H](CO)[C@@H](O)C3)oc2c(C)n1.
What is the InChIKey of (1S,2R,4R)-4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentan-1-ol?
The InChIKey is GRCYJPANRPXMIK-QRVBRYPASA-N. The full InChI is InChI=1S/C25H33N5O4/c1-4-33-21-9-16-8-20(34-23(16)14(3)27-21)22-13(2)28-25(26-11-15-5-6-15)30-24(22)29-18-7-17(12-31)19(32)10-18/h8-9,15,17-19,31-32H,4-7,10-12H2,1-3H3,(H2,26,28,29,30)/t17-,18-,19+/m1/s1.
What are the key properties of (1S,2R,4R)-4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentan-1-ol?
(1S,2R,4R)-4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentan-1-ol has a molecular weight of 467.57 g/mol, XLogP of 3.67, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 70644122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).