[1-[6-[2-(2,4-dimethylphenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C19H26N4O — CID 133299034

IUPAC[1-[6-[2-(2,4-dimethylphenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCc1ccc(CCNc2cc(N3CCCC3CO)ncn2)c(C)c1
InChIInChI=1S/C19H26N4O/c1-14-5-6-16(15(2)10-14)7-8-20-18-11-19(22-13-21-18)23-9-3-4-17(23)12-24/h5-6,10-11,13,17,24H,3-4,7-9,12H2,1-2H3,(H,20,21,22)
InChIKeyBKVWKDUGXPBVGA-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.71
Rot. Bonds6

About [1-[6-[2-(2,4-dimethylphenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[1-[6-[2-(2,4-dimethylphenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 133299034) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is [1-[6-[2-(2,4-dimethylphenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-[2-(2,4-dimethylphenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID133299034
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name[1-[6-[2-(2,4-dimethylphenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCc1ccc(CCNc2cc(N3CCCC3CO)ncn2)c(C)c1
InChIInChI=1S/C19H26N4O/c1-14-5-6-16(15(2)10-14)7-8-20-18-11-19(22-13-21-18)23-9-3-4-17(23)12-24/h5-6,10-11,13,17,24H,3-4,7-9,12H2,1-2H3,(H,20,21,22)
InChIKeyBKVWKDUGXPBVGA-UHFFFAOYSA-N
XLogP2.71
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 133301171
[(2R)-1-[6-[2-(4-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763864
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
[1-[6-[2-(6-chloro-1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133304134
4-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-2-phenylbutan-2-ol
CID 133495720
[(2S)-1-[6-[2-(2-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763829
[(2S)-1-[6-[(5-methylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763977
[1-[6-[(1-methylcyclopentyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133293728
2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-(3-methylphenyl)ethanol
CID 133375898
[(2S)-1-[6-[2-(3-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763919
[(2R)-1-[6-[2-(3-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763918
[1-[6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133390263

Frequently Asked Questions

What is the IUPAC name of [1-[6-[2-(2,4-dimethylphenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-[2-(2,4-dimethylphenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 133299034) is [1-[6-[2-(2,4-dimethylphenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-[2-(2,4-dimethylphenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-[2-(2,4-dimethylphenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is Cc1ccc(CCNc2cc(N3CCCC3CO)ncn2)c(C)c1.
What is the InChIKey of [1-[6-[2-(2,4-dimethylphenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is BKVWKDUGXPBVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-5-6-16(15(2)10-14)7-8-20-18-11-19(22-13-21-18)23-9-3-4-17(23)12-24/h5-6,10-11,13,17,24H,3-4,7-9,12H2,1-2H3,(H,20,21,22).
What are the key properties of [1-[6-[2-(2,4-dimethylphenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[6-[2-(2,4-dimethylphenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 326.44 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[2-(2,4-dimethylphenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 133299034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).