4-propyl-5-(4-propylpyrimidin-2-yl)-2-(4-propylpyrimidin-5-yl)pyrimidine

C21H26N6 — CID 58281688

IUPAC4-propyl-5-(4-propylpyrimidin-2-yl)-2-(4-propylpyrimidin-5-yl)pyrimidine
SMILESCCCc1ccnc(-c2cnc(-c3cncnc3CCC)nc2CCC)n1
InChIInChI=1S/C21H26N6/c1-4-7-15-10-11-23-20(26-15)17-13-24-21(27-19(17)9-6-3)16-12-22-14-25-18(16)8-5-2/h10-14H,4-9H2,1-3H3
InChIKeyMQKROVWDBLXHEZ-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.25
Rot. Bonds8

About 4-propyl-5-(4-propylpyrimidin-2-yl)-2-(4-propylpyrimidin-5-yl)pyrimidine

4-propyl-5-(4-propylpyrimidin-2-yl)-2-(4-propylpyrimidin-5-yl)pyrimidine (PubChem CID 58281688) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-propyl-5-(4-propylpyrimidin-2-yl)-2-(4-propylpyrimidin-5-yl)pyrimidine.

Molecular Properties

Compound Name4-propyl-5-(4-propylpyrimidin-2-yl)-2-(4-propylpyrimidin-5-yl)pyrimidine
PubChem CID58281688
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name4-propyl-5-(4-propylpyrimidin-2-yl)-2-(4-propylpyrimidin-5-yl)pyrimidine
SMILESCCCc1ccnc(-c2cnc(-c3cncnc3CCC)nc2CCC)n1
InChIInChI=1S/C21H26N6/c1-4-7-15-10-11-23-20(26-15)17-13-24-21(27-19(17)9-6-3)16-12-22-14-25-18(16)8-5-2/h10-14H,4-9H2,1-3H3
InChIKeyMQKROVWDBLXHEZ-UHFFFAOYSA-N
XLogP4.25
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-5-(4-propylpyrimidin-2-yl)-2-(4-propylpyrimidin-5-yl)pyrimidine?
The IUPAC name of 4-propyl-5-(4-propylpyrimidin-2-yl)-2-(4-propylpyrimidin-5-yl)pyrimidine (CID 58281688) is 4-propyl-5-(4-propylpyrimidin-2-yl)-2-(4-propylpyrimidin-5-yl)pyrimidine.
What is the SMILES notation for 4-propyl-5-(4-propylpyrimidin-2-yl)-2-(4-propylpyrimidin-5-yl)pyrimidine?
The canonical SMILES for 4-propyl-5-(4-propylpyrimidin-2-yl)-2-(4-propylpyrimidin-5-yl)pyrimidine is CCCc1ccnc(-c2cnc(-c3cncnc3CCC)nc2CCC)n1.
What is the InChIKey of 4-propyl-5-(4-propylpyrimidin-2-yl)-2-(4-propylpyrimidin-5-yl)pyrimidine?
The InChIKey is MQKROVWDBLXHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c1-4-7-15-10-11-23-20(26-15)17-13-24-21(27-19(17)9-6-3)16-12-22-14-25-18(16)8-5-2/h10-14H,4-9H2,1-3H3.
What are the key properties of 4-propyl-5-(4-propylpyrimidin-2-yl)-2-(4-propylpyrimidin-5-yl)pyrimidine?
4-propyl-5-(4-propylpyrimidin-2-yl)-2-(4-propylpyrimidin-5-yl)pyrimidine has a molecular weight of 362.48 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-5-(4-propylpyrimidin-2-yl)-2-(4-propylpyrimidin-5-yl)pyrimidine is sourced from PubChem (CID 58281688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).