2-(4-tert-butylpiperazin-1-yl)-6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C18H31N5 — CID 166824537

IUPAC2-(4-tert-butylpiperazin-1-yl)-6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC(C)N1CCc2nc(N3CCN(C(C)(C)C)CC3)ncc2C1
InChIInChI=1S/C18H31N5/c1-14(2)22-7-6-16-15(13-22)12-19-17(20-16)21-8-10-23(11-9-21)18(3,4)5/h12,14H,6-11,13H2,1-5H3
InChIKeyDSWHJUANNIGQHP-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.16
Rot. Bonds2

About 2-(4-tert-butylpiperazin-1-yl)-6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-(4-tert-butylpiperazin-1-yl)-6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 166824537) has the molecular formula C18H31N5 and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazin-1-yl)-6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(4-tert-butylpiperazin-1-yl)-6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID166824537
Molecular FormulaC18H31N5
Molecular Weight317.48 g/mol
Exact Mass317.26
IUPAC Name2-(4-tert-butylpiperazin-1-yl)-6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC(C)N1CCc2nc(N3CCN(C(C)(C)C)CC3)ncc2C1
InChIInChI=1S/C18H31N5/c1-14(2)22-7-6-16-15(13-22)12-19-17(20-16)21-8-10-23(11-9-21)18(3,4)5/h12,14H,6-11,13H2,1-5H3
InChIKeyDSWHJUANNIGQHP-UHFFFAOYSA-N
XLogP2.16
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 166824537) is 2-(4-tert-butylpiperazin-1-yl)-6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(4-tert-butylpiperazin-1-yl)-6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(4-tert-butylpiperazin-1-yl)-6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC(C)N1CCc2nc(N3CCN(C(C)(C)C)CC3)ncc2C1.
What is the InChIKey of 2-(4-tert-butylpiperazin-1-yl)-6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is DSWHJUANNIGQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5/c1-14(2)22-7-6-16-15(13-22)12-19-17(20-16)21-8-10-23(11-9-21)18(3,4)5/h12,14H,6-11,13H2,1-5H3.
What are the key properties of 2-(4-tert-butylpiperazin-1-yl)-6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-(4-tert-butylpiperazin-1-yl)-6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 317.48 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperazin-1-yl)-6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 166824537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).