4-methyl-6-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine

C13H17N5 — CID 95841714

IUPAC4-methyl-6-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine
SMILESCc1cc(N2CC[C@@H](c3[nH]ncc3C)C2)ncn1
InChIInChI=1S/C13H17N5/c1-9-6-16-17-13(9)11-3-4-18(7-11)12-5-10(2)14-8-15-12/h5-6,8,11H,3-4,7H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeySLOKPYSBEJYHJA-LLVKDONJSA-N
MW243.31 g/mol
LogP1.81
Rot. Bonds2

About 4-methyl-6-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine

4-methyl-6-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine (PubChem CID 95841714) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-methyl-6-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-6-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine
PubChem CID95841714
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name4-methyl-6-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine
SMILESCc1cc(N2CC[C@@H](c3[nH]ncc3C)C2)ncn1
InChIInChI=1S/C13H17N5/c1-9-6-16-17-13(9)11-3-4-18(7-11)12-5-10(2)14-8-15-12/h5-6,8,11H,3-4,7H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeySLOKPYSBEJYHJA-LLVKDONJSA-N
XLogP1.81
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-[3-(4-methyl-1H-pyrazol-5-yl)azetidin-1-yl]pyrimidine
CID 73440562
4,6-dimethyl-2-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine
CID 95845236
2,4-dimethoxy-6-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,3,5-triazine
CID 110091067
4-methyl-6-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]pyrimidine
CID 95842094
4-methyl-6-[(3R)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]pyrimidine
CID 95845313
4-(4-chloropiperidin-1-yl)-6-methylpyrimidine
CID 63388301
2-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4-(6-methylpyrimidin-4-yl)morpholine
CID 110270900
1-methyl-3-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazine
CID 95824321
N-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-amine
CID 62545669
(2S)-4-(6-methylpyrimidin-4-yl)-2-(1H-pyrazol-5-yl)morpholine
CID 95841720
(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-methylsulfonylpiperidine
CID 95817352
[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 61225123

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-6-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine (CID 95841714) is 4-methyl-6-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-6-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-6-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine is Cc1cc(N2CC[C@@H](c3[nH]ncc3C)C2)ncn1.
What is the InChIKey of 4-methyl-6-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is SLOKPYSBEJYHJA-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17N5/c1-9-6-16-17-13(9)11-3-4-18(7-11)12-5-10(2)14-8-15-12/h5-6,8,11H,3-4,7H2,1-2H3,(H,16,17)/t11-/m1/s1.
What are the key properties of 4-methyl-6-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine?
4-methyl-6-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 243.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 95841714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).