(3S)-4-tert-butyl-3-methyl-1-propan-2-yl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine

C16H28N2 — CID 130218786

IUPAC(3S)-4-tert-butyl-3-methyl-1-propan-2-yl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine
SMILESCC(C)C1=N[C@@H](C)C(C(C)(C)C)=C2CCCCN12
InChIInChI=1S/C16H28N2/c1-11(2)15-17-12(3)14(16(4,5)6)13-9-7-8-10-18(13)15/h11-12H,7-10H2,1-6H3/t12-/m0/s1
InChIKeyHVURKZSSSSTDAT-LBPRGKRZSA-N
MW248.41 g/mol
LogP4.23
Rot. Bonds1

About (3S)-4-tert-butyl-3-methyl-1-propan-2-yl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine

(3S)-4-tert-butyl-3-methyl-1-propan-2-yl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine (PubChem CID 130218786) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is (3S)-4-tert-butyl-3-methyl-1-propan-2-yl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine.

Molecular Properties

Compound Name(3S)-4-tert-butyl-3-methyl-1-propan-2-yl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine
PubChem CID130218786
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name(3S)-4-tert-butyl-3-methyl-1-propan-2-yl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine
SMILESCC(C)C1=N[C@@H](C)C(C(C)(C)C)=C2CCCCN12
InChIInChI=1S/C16H28N2/c1-11(2)15-17-12(3)14(16(4,5)6)13-9-7-8-10-18(13)15/h11-12H,7-10H2,1-6H3/t12-/m0/s1
InChIKeyHVURKZSSSSTDAT-LBPRGKRZSA-N
XLogP4.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-4-tert-butyl-3-methyl-1-propan-2-yl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine 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

1-(8,9-ditert-butyl-6-propan-2-yl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-2-yl)-2-methylpropan-1-one
CID 130218849
3-[(3S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]-1,3-oxazolidine
CID 130208973
[(3R,6R)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methanol
CID 130208835
2-[[(3S)-4-tert-butyl-1-ethyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]amino]ethanol
CID 130218869
(3S)-1,3,4-trimethyl-6-pyrrolidin-1-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine
CID 126756997
8-(2,3-dimethylbutan-2-yl)-2,8-diazatricyclo[7.5.0.02,7]tetradec-1(9)-ene
CID 166753041
(3S,6S)-1,4-ditert-butyl-N-(tert-butylsulfamoyl)-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine
CID 130208893
5,6-ditert-butyl-1-methyl-2,3,4,7-tetrahydroazepin-7-ol
CID 59319513
2-methyl-3-propan-2-yl-2H-azirine
CID 123721159
[(3R,8S)-6,9-ditert-butyl-2-[(4-methoxyphenyl)methyl]-8-methyl-1,3,4,8-tetrahydropyrazino[1,2-c]pyrimidin-3-yl]methanol
CID 130209000
1-(3,3,4,4-tetramethylpentan-2-yl)azepan-2-one
CID 90987431
5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80982944

Frequently Asked Questions

What is the IUPAC name of (3S)-4-tert-butyl-3-methyl-1-propan-2-yl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine?
The IUPAC name of (3S)-4-tert-butyl-3-methyl-1-propan-2-yl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine (CID 130218786) is (3S)-4-tert-butyl-3-methyl-1-propan-2-yl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine.
What is the SMILES notation for (3S)-4-tert-butyl-3-methyl-1-propan-2-yl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine?
The canonical SMILES for (3S)-4-tert-butyl-3-methyl-1-propan-2-yl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine is CC(C)C1=N[C@@H](C)C(C(C)(C)C)=C2CCCCN12.
What is the InChIKey of (3S)-4-tert-butyl-3-methyl-1-propan-2-yl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine?
The InChIKey is HVURKZSSSSTDAT-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H28N2/c1-11(2)15-17-12(3)14(16(4,5)6)13-9-7-8-10-18(13)15/h11-12H,7-10H2,1-6H3/t12-/m0/s1.
What are the key properties of (3S)-4-tert-butyl-3-methyl-1-propan-2-yl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine?
(3S)-4-tert-butyl-3-methyl-1-propan-2-yl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine has a molecular weight of 248.41 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-tert-butyl-3-methyl-1-propan-2-yl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine is sourced from PubChem (CID 130218786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).