2-cyclopropyl-4-pyridin-3-yl-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrimidine

C20H20N6 — CID 118741367

IUPAC2-cyclopropyl-4-pyridin-3-yl-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrimidine
SMILESc1cncc(-c2nc(C3CC3)ncc2-c2ccnc(N3CCCC3)n2)c1
InChIInChI=1S/C20H20N6/c1-2-11-26(10-1)20-22-9-7-17(24-20)16-13-23-19(14-5-6-14)25-18(16)15-4-3-8-21-12-15/h3-4,7-9,12-14H,1-2,5-6,10-11H2
InChIKeySMXHGUDYVNNGCZ-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.47
Rot. Bonds4

About 2-cyclopropyl-4-pyridin-3-yl-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrimidine

2-cyclopropyl-4-pyridin-3-yl-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrimidine (PubChem CID 118741367) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-cyclopropyl-4-pyridin-3-yl-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-pyridin-3-yl-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrimidine
PubChem CID118741367
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name2-cyclopropyl-4-pyridin-3-yl-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrimidine
SMILESc1cncc(-c2nc(C3CC3)ncc2-c2ccnc(N3CCCC3)n2)c1
InChIInChI=1S/C20H20N6/c1-2-11-26(10-1)20-22-9-7-17(24-20)16-13-23-19(14-5-6-14)25-18(16)15-4-3-8-21-12-15/h3-4,7-9,12-14H,1-2,5-6,10-11H2
InChIKeySMXHGUDYVNNGCZ-UHFFFAOYSA-N
XLogP3.47
TPSA67.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-pyridin-3-yl-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrimidine?
The IUPAC name of 2-cyclopropyl-4-pyridin-3-yl-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrimidine (CID 118741367) is 2-cyclopropyl-4-pyridin-3-yl-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-pyridin-3-yl-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-pyridin-3-yl-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrimidine is c1cncc(-c2nc(C3CC3)ncc2-c2ccnc(N3CCCC3)n2)c1.
What is the InChIKey of 2-cyclopropyl-4-pyridin-3-yl-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrimidine?
The InChIKey is SMXHGUDYVNNGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-2-11-26(10-1)20-22-9-7-17(24-20)16-13-23-19(14-5-6-14)25-18(16)15-4-3-8-21-12-15/h3-4,7-9,12-14H,1-2,5-6,10-11H2.
What are the key properties of 2-cyclopropyl-4-pyridin-3-yl-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrimidine?
2-cyclopropyl-4-pyridin-3-yl-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrimidine has a molecular weight of 344.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-pyridin-3-yl-5-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrimidine is sourced from PubChem (CID 118741367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).