N-[[(3S)-1-ethyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide

C16H27N3O — CID 134403277

IUPACN-[[(3S)-1-ethyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide
SMILESCCC1=N[C@@H](C)C(C(C)C)=C2CC(CNC(C)=O)CN12
InChIInChI=1S/C16H27N3O/c1-6-15-18-11(4)16(10(2)3)14-7-13(9-19(14)15)8-17-12(5)20/h10-11,13H,6-9H2,1-5H3,(H,17,20)/t11-,13?/m0/s1
InChIKeyDUGGSJFCJUGFSI-AMGKYWFPSA-N
MW277.41 g/mol
LogP2.57
Rot. Bonds4

About N-[[(3S)-1-ethyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide

N-[[(3S)-1-ethyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide (PubChem CID 134403277) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[(3S)-1-ethyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-ethyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide
PubChem CID134403277
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[(3S)-1-ethyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide
SMILESCCC1=N[C@@H](C)C(C(C)C)=C2CC(CNC(C)=O)CN12
InChIInChI=1S/C16H27N3O/c1-6-15-18-11(4)16(10(2)3)14-7-13(9-19(14)15)8-17-12(5)20/h10-11,13H,6-9H2,1-5H3,(H,17,20)/t11-,13?/m0/s1
InChIKeyDUGGSJFCJUGFSI-AMGKYWFPSA-N
XLogP2.57
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-ethyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide?
The IUPAC name of N-[[(3S)-1-ethyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide (CID 134403277) is N-[[(3S)-1-ethyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3S)-1-ethyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide?
The canonical SMILES for N-[[(3S)-1-ethyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide is CCC1=N[C@@H](C)C(C(C)C)=C2CC(CNC(C)=O)CN12.
What is the InChIKey of N-[[(3S)-1-ethyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide?
The InChIKey is DUGGSJFCJUGFSI-AMGKYWFPSA-N. The full InChI is InChI=1S/C16H27N3O/c1-6-15-18-11(4)16(10(2)3)14-7-13(9-19(14)15)8-17-12(5)20/h10-11,13H,6-9H2,1-5H3,(H,17,20)/t11-,13?/m0/s1.
What are the key properties of N-[[(3S)-1-ethyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide?
N-[[(3S)-1-ethyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide has a molecular weight of 277.41 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-ethyl-3-methyl-4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide is sourced from PubChem (CID 134403277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).