4,6-dimethyl-2-[(3R)-1-pyrimidin-5-ylpyrrolidin-3-yl]pyrimidine

C14H17N5 — CID 125014647

IUPAC4,6-dimethyl-2-[(3R)-1-pyrimidin-5-ylpyrrolidin-3-yl]pyrimidine
SMILESCc1cc(C)nc([C@@H]2CCN(c3cncnc3)C2)n1
InChIInChI=1S/C14H17N5/c1-10-5-11(2)18-14(17-10)12-3-4-19(8-12)13-6-15-9-16-7-13/h5-7,9,12H,3-4,8H2,1-2H3/t12-/m1/s1
InChIKeyWNWXQWYOSRVCHN-GFCCVEGCSA-N
MW255.32 g/mol
LogP1.88
Rot. Bonds2

About 4,6-dimethyl-2-[(3R)-1-pyrimidin-5-ylpyrrolidin-3-yl]pyrimidine

4,6-dimethyl-2-[(3R)-1-pyrimidin-5-ylpyrrolidin-3-yl]pyrimidine (PubChem CID 125014647) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(3R)-1-pyrimidin-5-ylpyrrolidin-3-yl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[(3R)-1-pyrimidin-5-ylpyrrolidin-3-yl]pyrimidine
PubChem CID125014647
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name4,6-dimethyl-2-[(3R)-1-pyrimidin-5-ylpyrrolidin-3-yl]pyrimidine
SMILESCc1cc(C)nc([C@@H]2CCN(c3cncnc3)C2)n1
InChIInChI=1S/C14H17N5/c1-10-5-11(2)18-14(17-10)12-3-4-19(8-12)13-6-15-9-16-7-13/h5-7,9,12H,3-4,8H2,1-2H3/t12-/m1/s1
InChIKeyWNWXQWYOSRVCHN-GFCCVEGCSA-N
XLogP1.88
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine
CID 110096160
4,6-dimethyl-N-[6-methyl-2-[(3S)-1-pyrazin-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]pyrimidin-2-amine
CID 95842295
N,N,6-trimethyl-2-[(3R)-1-pyrazin-2-ylpyrrolidin-3-yl]pyrimidin-4-amine
CID 95817004
N,N,6-trimethyl-2-[(2S)-1-pyrimidin-5-ylpyrrolidin-2-yl]pyrimidin-4-amine
CID 95817002
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110269232
3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid
CID 91368528
4,6-dimethyl-N-[6-methyl-2-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]pyrimidin-2-amine
CID 95842387
4,6-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidine
CID 110254196
2-cyclobutyl-4,6-dimethylpyrimidine
CID 122534003
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 95846146
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 95829883
4-methyl-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine
CID 95841795

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(3R)-1-pyrimidin-5-ylpyrrolidin-3-yl]pyrimidine?
The IUPAC name of 4,6-dimethyl-2-[(3R)-1-pyrimidin-5-ylpyrrolidin-3-yl]pyrimidine (CID 125014647) is 4,6-dimethyl-2-[(3R)-1-pyrimidin-5-ylpyrrolidin-3-yl]pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[(3R)-1-pyrimidin-5-ylpyrrolidin-3-yl]pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[(3R)-1-pyrimidin-5-ylpyrrolidin-3-yl]pyrimidine is Cc1cc(C)nc([C@@H]2CCN(c3cncnc3)C2)n1.
What is the InChIKey of 4,6-dimethyl-2-[(3R)-1-pyrimidin-5-ylpyrrolidin-3-yl]pyrimidine?
The InChIKey is WNWXQWYOSRVCHN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N5/c1-10-5-11(2)18-14(17-10)12-3-4-19(8-12)13-6-15-9-16-7-13/h5-7,9,12H,3-4,8H2,1-2H3/t12-/m1/s1.
What are the key properties of 4,6-dimethyl-2-[(3R)-1-pyrimidin-5-ylpyrrolidin-3-yl]pyrimidine?
4,6-dimethyl-2-[(3R)-1-pyrimidin-5-ylpyrrolidin-3-yl]pyrimidine has a molecular weight of 255.32 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[(3R)-1-pyrimidin-5-ylpyrrolidin-3-yl]pyrimidine is sourced from PubChem (CID 125014647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).