(2R)-4-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide

C15H22N4O3 — CID 134689915

IUPAC(2R)-4-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
SMILESCOc1cc(N2CCC3O[C@@H](C(=O)NC(C)C)CC32)ncn1
InChIInChI=1S/C15H22N4O3/c1-9(2)18-15(20)12-6-10-11(22-12)4-5-19(10)13-7-14(21-3)17-8-16-13/h7-12H,4-6H2,1-3H3,(H,18,20)/t10?,11?,12-/m1/s1
InChIKeyJTCPHKRNIXFFKZ-HTAVTVPLSA-N
MW306.37 g/mol
LogP0.75
Rot. Bonds4

About (2R)-4-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide

(2R)-4-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide (PubChem CID 134689915) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is (2R)-4-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
PubChem CID134689915
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name(2R)-4-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
SMILESCOc1cc(N2CCC3O[C@@H](C(=O)NC(C)C)CC32)ncn1
InChIInChI=1S/C15H22N4O3/c1-9(2)18-15(20)12-6-10-11(22-12)4-5-19(10)13-7-14(21-3)17-8-16-13/h7-12H,4-6H2,1-3H3,(H,18,20)/t10?,11?,12-/m1/s1
InChIKeyJTCPHKRNIXFFKZ-HTAVTVPLSA-N
XLogP0.75
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-4-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide?
The IUPAC name of (2R)-4-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide (CID 134689915) is (2R)-4-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide.
What is the SMILES notation for (2R)-4-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide?
The canonical SMILES for (2R)-4-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide is COc1cc(N2CCC3O[C@@H](C(=O)NC(C)C)CC32)ncn1.
What is the InChIKey of (2R)-4-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide?
The InChIKey is JTCPHKRNIXFFKZ-HTAVTVPLSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-9(2)18-15(20)12-6-10-11(22-12)4-5-19(10)13-7-14(21-3)17-8-16-13/h7-12H,4-6H2,1-3H3,(H,18,20)/t10?,11?,12-/m1/s1.
What are the key properties of (2R)-4-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide?
(2R)-4-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide is sourced from PubChem (CID 134689915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).