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

C16H25N5O3 — CID 134690287

IUPAC(2R)-N-[2-(dimethylamino)ethyl]-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
SMILESCOc1cc(N2CCC3O[C@@H](C(=O)NCCN(C)C)CC32)ncn1
InChIInChI=1S/C16H25N5O3/c1-20(2)7-5-17-16(22)13-8-11-12(24-13)4-6-21(11)14-9-15(23-3)19-10-18-14/h9-13H,4-8H2,1-3H3,(H,17,22)/t11?,12?,13-/m1/s1
InChIKeyMRZFPFCYSSECPE-WXRRBKDZSA-N
MW335.41 g/mol
LogP-0.10
Rot. Bonds6

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

(2R)-N-[2-(dimethylamino)ethyl]-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide (PubChem CID 134690287) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is (2R)-N-[2-(dimethylamino)ethyl]-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(dimethylamino)ethyl]-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
PubChem CID134690287
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name(2R)-N-[2-(dimethylamino)ethyl]-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
SMILESCOc1cc(N2CCC3O[C@@H](C(=O)NCCN(C)C)CC32)ncn1
InChIInChI=1S/C16H25N5O3/c1-20(2)7-5-17-16(22)13-8-11-12(24-13)4-6-21(11)14-9-15(23-3)19-10-18-14/h9-13H,4-8H2,1-3H3,(H,17,22)/t11?,12?,13-/m1/s1
InChIKeyMRZFPFCYSSECPE-WXRRBKDZSA-N
XLogP-0.10
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-N-[2-(dimethylamino)ethyl]-4-(6-methoxypyrimidin-4-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)-N-[2-(dimethylamino)ethyl]-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide?
The IUPAC name of (2R)-N-[2-(dimethylamino)ethyl]-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide (CID 134690287) is (2R)-N-[2-(dimethylamino)ethyl]-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(dimethylamino)ethyl]-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(dimethylamino)ethyl]-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide is COc1cc(N2CCC3O[C@@H](C(=O)NCCN(C)C)CC32)ncn1.
What is the InChIKey of (2R)-N-[2-(dimethylamino)ethyl]-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide?
The InChIKey is MRZFPFCYSSECPE-WXRRBKDZSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-20(2)7-5-17-16(22)13-8-11-12(24-13)4-6-21(11)14-9-15(23-3)19-10-18-14/h9-13H,4-8H2,1-3H3,(H,17,22)/t11?,12?,13-/m1/s1.
What are the key properties of (2R)-N-[2-(dimethylamino)ethyl]-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide?
(2R)-N-[2-(dimethylamino)ethyl]-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of -0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(dimethylamino)ethyl]-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide is sourced from PubChem (CID 134690287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).