4-(3-tert-butylpiperazin-1-yl)-6-[(4-methoxyphenyl)methoxy]-2-pyridin-4-ylpyrimidine

C25H31N5O2 — CID 134382769

IUPAC4-(3-tert-butylpiperazin-1-yl)-6-[(4-methoxyphenyl)methoxy]-2-pyridin-4-ylpyrimidine
SMILESCOc1ccc(COc2cc(N3CCNC(C(C)(C)C)C3)nc(-c3ccncc3)n2)cc1
InChIInChI=1S/C25H31N5O2/c1-25(2,3)21-16-30(14-13-27-21)22-15-23(29-24(28-22)19-9-11-26-12-10-19)32-17-18-5-7-20(31-4)8-6-18/h5-12,15,21,27H,13-14,16-17H2,1-4H3
InChIKeyGEEGOHIVQDVKEF-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.95
Rot. Bonds6

About 4-(3-tert-butylpiperazin-1-yl)-6-[(4-methoxyphenyl)methoxy]-2-pyridin-4-ylpyrimidine

4-(3-tert-butylpiperazin-1-yl)-6-[(4-methoxyphenyl)methoxy]-2-pyridin-4-ylpyrimidine (PubChem CID 134382769) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 4-(3-tert-butylpiperazin-1-yl)-6-[(4-methoxyphenyl)methoxy]-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-(3-tert-butylpiperazin-1-yl)-6-[(4-methoxyphenyl)methoxy]-2-pyridin-4-ylpyrimidine
PubChem CID134382769
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name4-(3-tert-butylpiperazin-1-yl)-6-[(4-methoxyphenyl)methoxy]-2-pyridin-4-ylpyrimidine
SMILESCOc1ccc(COc2cc(N3CCNC(C(C)(C)C)C3)nc(-c3ccncc3)n2)cc1
InChIInChI=1S/C25H31N5O2/c1-25(2,3)21-16-30(14-13-27-21)22-15-23(29-24(28-22)19-9-11-26-12-10-19)32-17-18-5-7-20(31-4)8-6-18/h5-12,15,21,27H,13-14,16-17H2,1-4H3
InChIKeyGEEGOHIVQDVKEF-UHFFFAOYSA-N
XLogP3.95
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylpiperazin-1-yl)-6-[(4-methoxyphenyl)methoxy]-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-(3-tert-butylpiperazin-1-yl)-6-[(4-methoxyphenyl)methoxy]-2-pyridin-4-ylpyrimidine (CID 134382769) is 4-(3-tert-butylpiperazin-1-yl)-6-[(4-methoxyphenyl)methoxy]-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-(3-tert-butylpiperazin-1-yl)-6-[(4-methoxyphenyl)methoxy]-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-(3-tert-butylpiperazin-1-yl)-6-[(4-methoxyphenyl)methoxy]-2-pyridin-4-ylpyrimidine is COc1ccc(COc2cc(N3CCNC(C(C)(C)C)C3)nc(-c3ccncc3)n2)cc1.
What is the InChIKey of 4-(3-tert-butylpiperazin-1-yl)-6-[(4-methoxyphenyl)methoxy]-2-pyridin-4-ylpyrimidine?
The InChIKey is GEEGOHIVQDVKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-25(2,3)21-16-30(14-13-27-21)22-15-23(29-24(28-22)19-9-11-26-12-10-19)32-17-18-5-7-20(31-4)8-6-18/h5-12,15,21,27H,13-14,16-17H2,1-4H3.
What are the key properties of 4-(3-tert-butylpiperazin-1-yl)-6-[(4-methoxyphenyl)methoxy]-2-pyridin-4-ylpyrimidine?
4-(3-tert-butylpiperazin-1-yl)-6-[(4-methoxyphenyl)methoxy]-2-pyridin-4-ylpyrimidine has a molecular weight of 433.56 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butylpiperazin-1-yl)-6-[(4-methoxyphenyl)methoxy]-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 134382769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).