5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]pyrimidine

C22H24N10 — CID 24951279

IUPAC5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]pyrimidine
SMILESc1nc(-c2ncc(-c3cnc([C@@H]4CCCN4)[nH]3)cn2)ncc1-c1cnc([C@@H]2CCCN2)[nH]1
InChIInChI=1S/C22H24N10/c1-3-15(23-5-1)19-29-11-17(31-19)13-7-25-21(26-8-13)22-27-9-14(10-28-22)18-12-30-20(32-18)16-4-2-6-24-16/h7-12,15-16,23-24H,1-6H2,(H,29,31)(H,30,32)/t15-,16-/m0/s1
InChIKeyLPOHHCQUQDZFAZ-HOTGVXAUSA-N
MW428.50 g/mol
LogP2.56
Rot. Bonds5

About 5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]pyrimidine

5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]pyrimidine (PubChem CID 24951279) has the molecular formula C22H24N10 and a molecular weight of 428.50 g/mol. Its IUPAC name is 5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]pyrimidine.

Molecular Properties

Compound Name5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]pyrimidine
PubChem CID24951279
Molecular FormulaC22H24N10
Molecular Weight428.50 g/mol
Exact Mass428.22
IUPAC Name5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]pyrimidine
SMILESc1nc(-c2ncc(-c3cnc([C@@H]4CCCN4)[nH]3)cn2)ncc1-c1cnc([C@@H]2CCCN2)[nH]1
InChIInChI=1S/C22H24N10/c1-3-15(23-5-1)19-29-11-17(31-19)13-7-25-21(26-8-13)22-27-9-14(10-28-22)18-12-30-20(32-18)16-4-2-6-24-16/h7-12,15-16,23-24H,1-6H2,(H,29,31)(H,30,32)/t15-,16-/m0/s1
InChIKeyLPOHHCQUQDZFAZ-HOTGVXAUSA-N
XLogP2.56
TPSA132.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]pyrimidine?
The IUPAC name of 5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]pyrimidine (CID 24951279) is 5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]pyrimidine.
What is the SMILES notation for 5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]pyrimidine?
The canonical SMILES for 5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]pyrimidine is c1nc(-c2ncc(-c3cnc([C@@H]4CCCN4)[nH]3)cn2)ncc1-c1cnc([C@@H]2CCCN2)[nH]1.
What is the InChIKey of 5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]pyrimidine?
The InChIKey is LPOHHCQUQDZFAZ-HOTGVXAUSA-N. The full InChI is InChI=1S/C22H24N10/c1-3-15(23-5-1)19-29-11-17(31-19)13-7-25-21(26-8-13)22-27-9-14(10-28-22)18-12-30-20(32-18)16-4-2-6-24-16/h7-12,15-16,23-24H,1-6H2,(H,29,31)(H,30,32)/t15-,16-/m0/s1.
What are the key properties of 5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]pyrimidine?
5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]pyrimidine has a molecular weight of 428.50 g/mol, XLogP of 2.56, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]pyrimidine is sourced from PubChem (CID 24951279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).