4,6-dimethyl-2-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]pyrimidine

C14H17N5 — CID 124970255

IUPAC4,6-dimethyl-2-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]pyrimidine
SMILESCc1cc(C)nc(N2CCC[C@H]2c2ccncn2)n1
InChIInChI=1S/C14H17N5/c1-10-8-11(2)18-14(17-10)19-7-3-4-13(19)12-5-6-15-9-16-12/h5-6,8-9,13H,3-4,7H2,1-2H3/t13-/m0/s1
InChIKeyJOPRWQWPSQSBIT-ZDUSSCGKSA-N
MW255.32 g/mol
LogP2.22
Rot. Bonds2

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

4,6-dimethyl-2-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]pyrimidine (PubChem CID 124970255) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]pyrimidine
PubChem CID124970255
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name4,6-dimethyl-2-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]pyrimidine
SMILESCc1cc(C)nc(N2CCC[C@H]2c2ccncn2)n1
InChIInChI=1S/C14H17N5/c1-10-8-11(2)18-14(17-10)19-7-3-4-13(19)12-5-6-15-9-16-12/h5-6,8-9,13H,3-4,7H2,1-2H3/t13-/m0/s1
InChIKeyJOPRWQWPSQSBIT-ZDUSSCGKSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethoxy-6-(2-pyrimidin-4-ylpyrrolidin-1-yl)-1,3,5-triazine
CID 175657256
2-[(2R)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-4,6-dimethylpyrimidine
CID 124998210
4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 95829363
4,6-bis[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine
CID 133492915
(2-methylpyrimidin-4-yl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone
CID 124978935
3-[6-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
CID 124973545
N,N-diethyl-2-pyrimidin-4-ylpyrrolidine-1-sulfonamide
CID 110114762
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 16643268
4-(1-benzylpyrrolidin-2-yl)pyrimidine
CID 175656203
3-[6-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]propanamide
CID 95827338
(3-methyl-2-pyridinyl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone
CID 124953337
4-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 125000486

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4,6-dimethyl-2-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]pyrimidine (CID 124970255) is 4,6-dimethyl-2-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]pyrimidine is Cc1cc(C)nc(N2CCC[C@H]2c2ccncn2)n1.
What is the InChIKey of 4,6-dimethyl-2-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]pyrimidine?
The InChIKey is JOPRWQWPSQSBIT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17N5/c1-10-8-11(2)18-14(17-10)19-7-3-4-13(19)12-5-6-15-9-16-12/h5-6,8-9,13H,3-4,7H2,1-2H3/t13-/m0/s1.
What are the key properties of 4,6-dimethyl-2-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]pyrimidine?
4,6-dimethyl-2-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]pyrimidine has a molecular weight of 255.32 g/mol, XLogP of 2.22, 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-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 124970255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).