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

C14H25N3O2 — CID 126757009

IUPAC2-[2-hydroxyethyl-[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol
SMILESCC1=N[C@@H](C)C(C)=C2CC(N(CCO)CCO)CN12
InChIInChI=1S/C14H25N3O2/c1-10-11(2)15-12(3)17-9-13(8-14(10)17)16(4-6-18)5-7-19/h11,13,18-19H,4-9H2,1-3H3/t11-,13?/m0/s1
InChIKeyPXNYHJURVJQQSH-AMGKYWFPSA-N
MW267.37 g/mol
LogP0.44
Rot. Bonds5

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

2-[2-hydroxyethyl-[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol (PubChem CID 126757009) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol
PubChem CID126757009
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-[2-hydroxyethyl-[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol
SMILESCC1=N[C@@H](C)C(C)=C2CC(N(CCO)CCO)CN12
InChIInChI=1S/C14H25N3O2/c1-10-11(2)15-12(3)17-9-13(8-14(10)17)16(4-6-18)5-7-19/h11,13,18-19H,4-9H2,1-3H3/t11-,13?/m0/s1
InChIKeyPXNYHJURVJQQSH-AMGKYWFPSA-N
XLogP0.44
TPSA59.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methanol
CID 130218583
N-(1,4-dimethyl-3-propan-2-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)-N-(2-hydroxyethyl)methanesulfonamide
CID 126756710
1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carbonitrile
CID 130218065
(3S,6R)-1,3,4-trimethyl-6-(2H-tetrazol-5-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine
CID 130218741
3-[cyclopropyl(2-hydroxyethyl)amino]propan-1-ol
CID 61067850
3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62624580
ethane;2-[2-hydroxyethyl-(4-methylcyclohex-3-en-1-yl)amino]ethanol
CID 177317246
2-[cyclopropyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
CID 55099042
2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl-cyclobutylamino]ethanol
CID 102869682
3-[bis(2-hydroxyethyl)amino]cyclohexan-1-one
CID 79619177
2-[2-hydroxyethyl-(6-methyloxan-3-yl)amino]ethanol
CID 163401789
2-[cyclohexyl-[2-(4-methylpyrazol-1-yl)ethyl]amino]ethanol
CID 113234362

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol (CID 126757009) is 2-[2-hydroxyethyl-[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol is CC1=N[C@@H](C)C(C)=C2CC(N(CCO)CCO)CN12.
What is the InChIKey of 2-[2-hydroxyethyl-[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol?
The InChIKey is PXNYHJURVJQQSH-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10-11(2)15-12(3)17-9-13(8-14(10)17)16(4-6-18)5-7-19/h11,13,18-19H,4-9H2,1-3H3/t11-,13?/m0/s1.
What are the key properties of 2-[2-hydroxyethyl-[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol?
2-[2-hydroxyethyl-[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol has a molecular weight of 267.37 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol is sourced from PubChem (CID 126757009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).