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

C20H35N5 — CID 143595572

IUPAC7-(4-methylpentan-2-yl)-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCC(C)CC(C)N1CCc2c(ncnc2N2CCN(C(C)C)CC2)C1
InChIInChI=1S/C20H35N5/c1-15(2)12-17(5)25-7-6-18-19(13-25)21-14-22-20(18)24-10-8-23(9-11-24)16(3)4/h14-17H,6-13H2,1-5H3
InChIKeyCYVNXMUMMJKVRW-UHFFFAOYSA-N
MW345.54 g/mol
LogP2.80
Rot. Bonds5

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

7-(4-methylpentan-2-yl)-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 143595572) has the molecular formula C20H35N5 and a molecular weight of 345.54 g/mol. Its IUPAC name is 7-(4-methylpentan-2-yl)-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-(4-methylpentan-2-yl)-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID143595572
Molecular FormulaC20H35N5
Molecular Weight345.54 g/mol
Exact Mass345.29
IUPAC Name7-(4-methylpentan-2-yl)-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCC(C)CC(C)N1CCc2c(ncnc2N2CCN(C(C)C)CC2)C1
InChIInChI=1S/C20H35N5/c1-15(2)12-17(5)25-7-6-18-19(13-25)21-14-22-20(18)24-10-8-23(9-11-24)16(3)4/h14-17H,6-13H2,1-5H3
InChIKeyCYVNXMUMMJKVRW-UHFFFAOYSA-N
XLogP2.80
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.54
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-butan-2-ylpiperazin-1-yl)-7-(2-methylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 143595224
4-[5-[1-[4-(4-pentan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]-2-pyridinyl]morpholine
CID 143595403
1-[4-(4-heptan-3-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-methylpentan-1-one
CID 143595570
1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 31290694
4-(4-propan-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 122282402
1-[4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-methylbutan-1-one
CID 59670028
5-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80793564
N-ethyl-5-methyl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80793772
6-(4-propan-2-ylpiperazin-1-yl)-5-propylpyrimidin-4-amine
CID 80792850
1,4-bis(4-methylpentan-2-yl)piperazine
CID 3064079
4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 70756219
4-(7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)morpholine
CID 152780292

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpentan-2-yl)-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 7-(4-methylpentan-2-yl)-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 143595572) is 7-(4-methylpentan-2-yl)-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 7-(4-methylpentan-2-yl)-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 7-(4-methylpentan-2-yl)-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CC(C)CC(C)N1CCc2c(ncnc2N2CCN(C(C)C)CC2)C1.
What is the InChIKey of 7-(4-methylpentan-2-yl)-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is CYVNXMUMMJKVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5/c1-15(2)12-17(5)25-7-6-18-19(13-25)21-14-22-20(18)24-10-8-23(9-11-24)16(3)4/h14-17H,6-13H2,1-5H3.
What are the key properties of 7-(4-methylpentan-2-yl)-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
7-(4-methylpentan-2-yl)-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 345.54 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpentan-2-yl)-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 143595572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).