4-methyl-2-[(3S)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine

C13H15N5 — CID 95841796

IUPAC4-methyl-2-[(3S)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine
SMILESCc1ccnc([C@H]2CCN(c3ccncn3)C2)n1
InChIInChI=1S/C13H15N5/c1-10-2-6-15-13(17-10)11-4-7-18(8-11)12-3-5-14-9-16-12/h2-3,5-6,9,11H,4,7-8H2,1H3/t11-/m0/s1
InChIKeyJFKSPNIMHCDNNI-NSHDSACASA-N
MW241.30 g/mol
LogP1.57
Rot. Bonds2

About 4-methyl-2-[(3S)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine

4-methyl-2-[(3S)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine (PubChem CID 95841796) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 4-methyl-2-[(3S)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[(3S)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine
PubChem CID95841796
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name4-methyl-2-[(3S)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine
SMILESCc1ccnc([C@H]2CCN(c3ccncn3)C2)n1
InChIInChI=1S/C13H15N5/c1-10-2-6-15-13(17-10)11-4-7-18(8-11)12-3-5-14-9-16-12/h2-3,5-6,9,11H,4,7-8H2,1H3/t11-/m0/s1
InChIKeyJFKSPNIMHCDNNI-NSHDSACASA-N
XLogP1.57
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine
CID 95841795
2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid
CID 124954393
2-methyl-4-[3-(4-methylpyrimidin-2-yl)azetidin-1-yl]pyrimidine
CID 95841766
4-methyl-2-(1-methylpiperidin-3-yl)pyrimidine
CID 122609712
4-[(3S)-3-ethylpyrrolidin-1-yl]pyrimidine
CID 163491311
4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
CID 95808838
4-methyl-2-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine
CID 124641598
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-methylpyrimidine
CID 175652445
(1-pyrimidin-4-ylpyrrolidin-3-yl)carbamic acid
CID 66765635
4-[4-(4-tert-butylphenyl)piperidin-1-yl]pyrimidine
CID 166360323
N-(6-methyl-2-pyridinyl)-3-[(3S)-1-pyrimidin-4-ylpiperidin-3-yl]pyrazin-2-amine
CID 125000666
4-(4-methylpyrimidin-2-yl)cyclohexan-1-ol
CID 116901966

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3S)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine?
The IUPAC name of 4-methyl-2-[(3S)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine (CID 95841796) is 4-methyl-2-[(3S)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[(3S)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine?
The canonical SMILES for 4-methyl-2-[(3S)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine is Cc1ccnc([C@H]2CCN(c3ccncn3)C2)n1.
What is the InChIKey of 4-methyl-2-[(3S)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine?
The InChIKey is JFKSPNIMHCDNNI-NSHDSACASA-N. The full InChI is InChI=1S/C13H15N5/c1-10-2-6-15-13(17-10)11-4-7-18(8-11)12-3-5-14-9-16-12/h2-3,5-6,9,11H,4,7-8H2,1H3/t11-/m0/s1.
What are the key properties of 4-methyl-2-[(3S)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine?
4-methyl-2-[(3S)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine has a molecular weight of 241.30 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3S)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine is sourced from PubChem (CID 95841796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).