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

C14H23N3O — CID 126756559

IUPACN-[[(3S,6R)-1-methyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CC2=C[C@H](C(C)C)N=C(C)N2C1
InChIInChI=1S/C14H23N3O/c1-9(2)14-6-13-5-12(7-15-11(4)18)8-17(13)10(3)16-14/h6,9,12,14H,5,7-8H2,1-4H3,(H,15,18)/t12-,14-/m1/s1
InChIKeyGRJNTJYCUKKPKT-TZMCWYRMSA-N
MW249.36 g/mol
LogP1.78
Rot. Bonds3

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

N-[[(3S,6R)-1-methyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide (PubChem CID 126756559) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[(3S,6R)-1-methyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S,6R)-1-methyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide
PubChem CID126756559
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[[(3S,6R)-1-methyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CC2=C[C@H](C(C)C)N=C(C)N2C1
InChIInChI=1S/C14H23N3O/c1-9(2)14-6-13-5-12(7-15-11(4)18)8-17(13)10(3)16-14/h6,9,12,14H,5,7-8H2,1-4H3,(H,15,18)/t12-,14-/m1/s1
InChIKeyGRJNTJYCUKKPKT-TZMCWYRMSA-N
XLogP1.78
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,6R)-1-methyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide?
The IUPAC name of N-[[(3S,6R)-1-methyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide (CID 126756559) is N-[[(3S,6R)-1-methyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3S,6R)-1-methyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide?
The canonical SMILES for N-[[(3S,6R)-1-methyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide is CC(=O)NC[C@H]1CC2=C[C@H](C(C)C)N=C(C)N2C1.
What is the InChIKey of N-[[(3S,6R)-1-methyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide?
The InChIKey is GRJNTJYCUKKPKT-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9(2)14-6-13-5-12(7-15-11(4)18)8-17(13)10(3)16-14/h6,9,12,14H,5,7-8H2,1-4H3,(H,15,18)/t12-,14-/m1/s1.
What are the key properties of N-[[(3S,6R)-1-methyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide?
N-[[(3S,6R)-1-methyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide has a molecular weight of 249.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,6R)-1-methyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide is sourced from PubChem (CID 126756559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).