2-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propane-1,3-diol

C16H22N6O2 — CID 110256879

IUPAC2-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propane-1,3-diol
SMILESCc1nc(Nc2ncccn2)cc(C2CCCN2C(CO)CO)n1
InChIInChI=1S/C16H22N6O2/c1-11-19-13(14-4-2-7-22(14)12(9-23)10-24)8-15(20-11)21-16-17-5-3-6-18-16/h3,5-6,8,12,14,23-24H,2,4,7,9-10H2,1H3,(H,17,18,19,20,21)
InChIKeyRHUQLADMYDJDTA-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.81
Rot. Bonds6

About 2-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propane-1,3-diol

2-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propane-1,3-diol (PubChem CID 110256879) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propane-1,3-diol.

Molecular Properties

Compound Name2-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propane-1,3-diol
PubChem CID110256879
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name2-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propane-1,3-diol
SMILESCc1nc(Nc2ncccn2)cc(C2CCCN2C(CO)CO)n1
InChIInChI=1S/C16H22N6O2/c1-11-19-13(14-4-2-7-22(14)12(9-23)10-24)8-15(20-11)21-16-17-5-3-6-18-16/h3,5-6,8,12,14,23-24H,2,4,7,9-10H2,1H3,(H,17,18,19,20,21)
InChIKeyRHUQLADMYDJDTA-UHFFFAOYSA-N
XLogP0.81
TPSA107.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]propane-1,3-diol
CID 110270590
2-methyl-N-pyrimidin-2-yl-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine
CID 95820566
2-methyl-6-(1-methylpyrrolidin-2-yl)-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110269635
2-hydroxy-1-[(2R)-2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820622
2-methyl-N-pyrimidin-2-yl-6-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-4-amine
CID 95842576
3-methyl-1-[(2S)-2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one
CID 95823756
3-methyl-1-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one
CID 110256839
2-methoxy-1-[(2R)-2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820518
2-methyl-6-(1-methylpiperidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110255556
2-methyl-6-[(2R)-1-(oxan-4-ylmethyl)piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 124997630
1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 110256849
N-[2-methyl-6-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95820390

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propane-1,3-diol?
The IUPAC name of 2-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propane-1,3-diol (CID 110256879) is 2-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propane-1,3-diol.
What is the SMILES notation for 2-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propane-1,3-diol?
The canonical SMILES for 2-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propane-1,3-diol is Cc1nc(Nc2ncccn2)cc(C2CCCN2C(CO)CO)n1.
What is the InChIKey of 2-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propane-1,3-diol?
The InChIKey is RHUQLADMYDJDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-11-19-13(14-4-2-7-22(14)12(9-23)10-24)8-15(20-11)21-16-17-5-3-6-18-16/h3,5-6,8,12,14,23-24H,2,4,7,9-10H2,1H3,(H,17,18,19,20,21).
What are the key properties of 2-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propane-1,3-diol?
2-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propane-1,3-diol has a molecular weight of 330.39 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propane-1,3-diol is sourced from PubChem (CID 110256879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).