4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine

C16H22N6 — CID 23374546

IUPAC4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine
SMILESc1nc(N2CCCCC2)c2ncnc(N3CCCCC3)c2n1
InChIInChI=1S/C16H22N6/c1-3-7-21(8-4-1)15-13-14(18-11-19-15)16(20-12-17-13)22-9-5-2-6-10-22/h11-12H,1-10H2
InChIKeyNYLRLVUDYUCHPD-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.40
Rot. Bonds2

About 4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine

4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine (PubChem CID 23374546) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine.

Molecular Properties

Compound Name4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine
PubChem CID23374546
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine
SMILESc1nc(N2CCCCC2)c2ncnc(N3CCCCC3)c2n1
InChIInChI=1S/C16H22N6/c1-3-7-21(8-4-1)15-13-14(18-11-19-15)16(20-12-17-13)22-9-5-2-6-10-22/h11-12H,1-10H2
InChIKeyNYLRLVUDYUCHPD-UHFFFAOYSA-N
XLogP2.40
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Dipyridamole
CID 3108
2,6-Dichloro-4,8-di(piperidin-1-yl)pyrimido(5,4-d)pyrimidine
CID 81556
2-N,2-N,6-N,6-N-tetrakis(2-methoxyethyl)-4,8-bis(piperidin-1-yl)pyrimido[5,4-d][1,3]diazine-2,6-diamine
CID 9850791
2-{[6-(2-Hydroxyethoxy)-4,8-bis(piperidin-1-yl)pyrimido[5,4-d][1,3]diazin-2-yl]oxy}ethan-1-ol
CID 11350617
2,6-Bis(morpholin-4-yl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine
CID 350809
2,6-Bis(2,3-dimethoxypropoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine
CID 9828554
2,6-Di(-2'-methoxyethoxy)-4,8-dipiperidinopyrimidopyrimidine
CID 11166752
2-N,2-N,6-N,6-N-tetrakis(2-ethoxyethyl)-4,8-bis(piperidin-1-yl)pyrimido[5,4-d][1,3]diazine-2,6-diamine
CID 13066250
4,8-bis(piperidin-1-yl)-2-N,2-N,6-N,6-N-tetrakis(2-propoxyethyl)pyrimido[5,4-d][1,3]diazine-2,6-diamine
CID 16756298
2-[[8-[Bis(2-hydroxyethyl)amino]-2,6-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
CID 350804
2,6-Dimethoxy-4,8-dipiperidinopyrimidopyrimidine
CID 11245295
2,6-Diethoxy-4,8-dipiperidinopyrimidopyrimidine
CID 11246161

Frequently Asked Questions

What is the IUPAC name of 4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine?
The IUPAC name of 4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine (CID 23374546) is 4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine.
What is the SMILES notation for 4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine?
The canonical SMILES for 4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine is c1nc(N2CCCCC2)c2ncnc(N3CCCCC3)c2n1.
What is the InChIKey of 4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine?
The InChIKey is NYLRLVUDYUCHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-3-7-21(8-4-1)15-13-14(18-11-19-15)16(20-12-17-13)22-9-5-2-6-10-22/h11-12H,1-10H2.
What are the key properties of 4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine?
4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine has a molecular weight of 298.39 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine is sourced from PubChem (CID 23374546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).