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

C12H19N3O — CID 135159548

IUPACN-[[(3S,6R)-1,3-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CC2=C[C@H](C)N=C(C)N2C1
InChIInChI=1S/C12H19N3O/c1-8-4-12-5-11(6-13-10(3)16)7-15(12)9(2)14-8/h4,8,11H,5-7H2,1-3H3,(H,13,16)/t8-,11+/m0/s1
InChIKeyUHVLCSCEJRGTIL-GZMMTYOYSA-N
MW221.30 g/mol
LogP1.15
Rot. Bonds2

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

N-[[(3S,6R)-1,3-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide (PubChem CID 135159548) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[[(3S,6R)-1,3-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S,6R)-1,3-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide
PubChem CID135159548
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[[(3S,6R)-1,3-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CC2=C[C@H](C)N=C(C)N2C1
InChIInChI=1S/C12H19N3O/c1-8-4-12-5-11(6-13-10(3)16)7-15(12)9(2)14-8/h4,8,11H,5-7H2,1-3H3,(H,13,16)/t8-,11+/m0/s1
InChIKeyUHVLCSCEJRGTIL-GZMMTYOYSA-N
XLogP1.15
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,6R)-1,3-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide?
The IUPAC name of N-[[(3S,6R)-1,3-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide (CID 135159548) is N-[[(3S,6R)-1,3-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3S,6R)-1,3-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide?
The canonical SMILES for N-[[(3S,6R)-1,3-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide is CC(=O)NC[C@H]1CC2=C[C@H](C)N=C(C)N2C1.
What is the InChIKey of N-[[(3S,6R)-1,3-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide?
The InChIKey is UHVLCSCEJRGTIL-GZMMTYOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-4-12-5-11(6-13-10(3)16)7-15(12)9(2)14-8/h4,8,11H,5-7H2,1-3H3,(H,13,16)/t8-,11+/m0/s1.
What are the key properties of N-[[(3S,6R)-1,3-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide?
N-[[(3S,6R)-1,3-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide has a molecular weight of 221.30 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,6R)-1,3-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]acetamide is sourced from PubChem (CID 135159548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).