[(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methanol

C11H18N2O — CID 130218583

IUPAC[(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methanol
SMILESCC1=N[C@@H](C)C(C)=C2C[C@H](CO)CN12
InChIInChI=1S/C11H18N2O/c1-7-8(2)12-9(3)13-5-10(6-14)4-11(7)13/h8,10,14H,4-6H2,1-3H3/t8-,10-/m0/s1
InChIKeyNMWHAMWMNSAOOJ-WPRPVWTQSA-N
MW194.28 g/mol
LogP1.40
Rot. Bonds1

About [(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methanol

[(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methanol (PubChem CID 130218583) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is [(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methanol.

Molecular Properties

Compound Name[(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methanol
PubChem CID130218583
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name[(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methanol
SMILESCC1=N[C@@H](C)C(C)=C2C[C@H](CO)CN12
InChIInChI=1S/C11H18N2O/c1-7-8(2)12-9(3)13-5-10(6-14)4-11(7)13/h8,10,14H,4-6H2,1-3H3/t8-,10-/m0/s1
InChIKeyNMWHAMWMNSAOOJ-WPRPVWTQSA-N
XLogP1.40
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]acetonitrile
CID 130218698
(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-ol
CID 130219048
N-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]methanesulfonamide
CID 130218367
2-[methyl-[(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)methyl]amino]acetic acid
CID 130218244
2-[2-hydroxyethyl-[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol
CID 126757009
4,4-difluoro-1-[(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)methyl]pyrrolidine-2-carboxylic acid
CID 130218212
(3S)-1,3,4-trimethyl-6-pyrrolidin-1-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine
CID 126756997
[(3R,6R)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methanol
CID 130208835
N-(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)cyclopentanesulfonamide
CID 130218348
N-ethyl-6,8,9-trimethyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidine-2-carbothioamide
CID 126756557
4-(hydroxymethyl)-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one
CID 168662722
1-(5-chloro-4-methyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662706

Frequently Asked Questions

What is the IUPAC name of [(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methanol?
The IUPAC name of [(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methanol (CID 130218583) is [(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methanol.
What is the SMILES notation for [(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methanol?
The canonical SMILES for [(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methanol is CC1=N[C@@H](C)C(C)=C2C[C@H](CO)CN12.
What is the InChIKey of [(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methanol?
The InChIKey is NMWHAMWMNSAOOJ-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7-8(2)12-9(3)13-5-10(6-14)4-11(7)13/h8,10,14H,4-6H2,1-3H3/t8-,10-/m0/s1.
What are the key properties of [(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methanol?
[(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methanol has a molecular weight of 194.28 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methanol is sourced from PubChem (CID 130218583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).