2-[[(3S)-4-tert-butyl-1-ethyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol

C16H29N3O — CID 130218869

IUPAC2-[[(3S)-4-tert-butyl-1-ethyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol
SMILESCCC1=N[C@@H](C)C(C(C)(C)C)=C2CC(NCCO)CN12
InChIInChI=1S/C16H29N3O/c1-6-14-18-11(2)15(16(3,4)5)13-9-12(10-19(13)14)17-7-8-20/h11-12,17,20H,6-10H2,1-5H3/t11-,12?/m0/s1
InChIKeyJYLOXGOWEIJDPA-PXYINDEMSA-N
MW279.43 g/mol
LogP2.15
Rot. Bonds4

About 2-[[(3S)-4-tert-butyl-1-ethyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol

2-[[(3S)-4-tert-butyl-1-ethyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol (PubChem CID 130218869) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-[[(3S)-4-tert-butyl-1-ethyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[(3S)-4-tert-butyl-1-ethyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol
PubChem CID130218869
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-[[(3S)-4-tert-butyl-1-ethyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol
SMILESCCC1=N[C@@H](C)C(C(C)(C)C)=C2CC(NCCO)CN12
InChIInChI=1S/C16H29N3O/c1-6-14-18-11(2)15(16(3,4)5)13-9-12(10-19(13)14)17-7-8-20/h11-12,17,20H,6-10H2,1-5H3/t11-,12?/m0/s1
InChIKeyJYLOXGOWEIJDPA-PXYINDEMSA-N
XLogP2.15
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(3S)-4-tert-butyl-1-ethyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S,6S)-4-tert-butyl-1-ethyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]-3,3-difluorocyclobutane-1-sulfonamide
CID 130218807
N-[(3S,6R)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]acetamide
CID 130208882
N-[(3S,6S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]-2,2-difluoroacetamide
CID 130208883
[(3R,6R)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methanol
CID 130208835
(3S,6S)-1,4-ditert-butyl-6-[[butyl(methyl)sulfamoyl]amino]-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine
CID 130208901
(3S,6S)-1,4-ditert-butyl-3-methyl-N-(methylsulfamoyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine
CID 130208894
N-[(3S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]-3-hydroxycyclobutane-1-sulfonamide
CID 130208929
(3S,6S)-1,4-ditert-butyl-N-(tert-butylsulfamoyl)-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine
CID 130208893
N-(1-ethyl-3,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)azetidine-1-sulfonamide
CID 126756903
(3S,6R)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine
CID 130208868
(3R,6R)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-6-carbonitrile
CID 130208855
2-[(1-ethylazetidin-3-yl)amino]ethanol
CID 126997572

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-4-tert-butyl-1-ethyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol?
The IUPAC name of 2-[[(3S)-4-tert-butyl-1-ethyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol (CID 130218869) is 2-[[(3S)-4-tert-butyl-1-ethyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol.
What is the SMILES notation for 2-[[(3S)-4-tert-butyl-1-ethyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol?
The canonical SMILES for 2-[[(3S)-4-tert-butyl-1-ethyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol is CCC1=N[C@@H](C)C(C(C)(C)C)=C2CC(NCCO)CN12.
What is the InChIKey of 2-[[(3S)-4-tert-butyl-1-ethyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol?
The InChIKey is JYLOXGOWEIJDPA-PXYINDEMSA-N. The full InChI is InChI=1S/C16H29N3O/c1-6-14-18-11(2)15(16(3,4)5)13-9-12(10-19(13)14)17-7-8-20/h11-12,17,20H,6-10H2,1-5H3/t11-,12?/m0/s1.
What are the key properties of 2-[[(3S)-4-tert-butyl-1-ethyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol?
2-[[(3S)-4-tert-butyl-1-ethyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol has a molecular weight of 279.43 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-4-tert-butyl-1-ethyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol is sourced from PubChem (CID 130218869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).