(2S)-1-[N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]anilino]butan-2-ol

C19H24N4O — CID 99630819

IUPAC(2S)-1-[N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]anilino]butan-2-ol
SMILESCC[C@H](O)CN(Cc1cn2c(C)cc(C)nc2n1)c1ccccc1
InChIInChI=1S/C19H24N4O/c1-4-18(24)13-22(17-8-6-5-7-9-17)11-16-12-23-15(3)10-14(2)20-19(23)21-16/h5-10,12,18,24H,4,11,13H2,1-3H3/t18-/m0/s1
InChIKeyVLHWVTFIJAMSFN-SFHVURJKSA-N
MW324.43 g/mol
LogP3.12
Rot. Bonds6

About (2S)-1-[N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]anilino]butan-2-ol

(2S)-1-[N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]anilino]butan-2-ol (PubChem CID 99630819) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (2S)-1-[N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]anilino]butan-2-ol.

Molecular Properties

Compound Name(2S)-1-[N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]anilino]butan-2-ol
PubChem CID99630819
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(2S)-1-[N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]anilino]butan-2-ol
SMILESCC[C@H](O)CN(Cc1cn2c(C)cc(C)nc2n1)c1ccccc1
InChIInChI=1S/C19H24N4O/c1-4-18(24)13-22(17-8-6-5-7-9-17)11-16-12-23-15(3)10-14(2)20-19(23)21-16/h5-10,12,18,24H,4,11,13H2,1-3H3/t18-/m0/s1
InChIKeyVLHWVTFIJAMSFN-SFHVURJKSA-N
XLogP3.12
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]anilino]butan-2-ol with MolForge

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Related Compounds

N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methyl-1-phenylmethanamine
CID 2473900
1-[N-(imidazo[1,2-a]pyridin-2-ylmethyl)anilino]butan-2-ol
CID 110931014
7-[[N-(2-hydroxybutyl)anilino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 51105615
2-[benzyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]ethanol
CID 23790947
1-[N-(1,2-oxazol-3-ylmethyl)anilino]butan-2-ol
CID 111448240
2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetic acid
CID 63064159
(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methanethiol
CID 87896349
(1R)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 41105580
N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methyl-4-methylsulfanylbutan-2-amine
CID 75386771
1-[N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]anilino]butan-2-ol
CID 111462724
(2R)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methyl-4-methylsulfanylbutan-2-amine
CID 97238538
1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyridin-1-ium-2-amine
CID 21239033

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]anilino]butan-2-ol?
The IUPAC name of (2S)-1-[N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]anilino]butan-2-ol (CID 99630819) is (2S)-1-[N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]anilino]butan-2-ol.
What is the SMILES notation for (2S)-1-[N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]anilino]butan-2-ol?
The canonical SMILES for (2S)-1-[N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]anilino]butan-2-ol is CC[C@H](O)CN(Cc1cn2c(C)cc(C)nc2n1)c1ccccc1.
What is the InChIKey of (2S)-1-[N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]anilino]butan-2-ol?
The InChIKey is VLHWVTFIJAMSFN-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N4O/c1-4-18(24)13-22(17-8-6-5-7-9-17)11-16-12-23-15(3)10-14(2)20-19(23)21-16/h5-10,12,18,24H,4,11,13H2,1-3H3/t18-/m0/s1.
What are the key properties of (2S)-1-[N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]anilino]butan-2-ol?
(2S)-1-[N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]anilino]butan-2-ol has a molecular weight of 324.43 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]anilino]butan-2-ol is sourced from PubChem (CID 99630819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).