2-[[2-[bis(2-hydroxyethyl)amino]-4,8-bis(dipropylamino)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol

C26H48N8O4 — CID 16756534

IUPAC2-[[2-[bis(2-hydroxyethyl)amino]-4,8-bis(dipropylamino)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
SMILESCCCN(CCC)c1nc(N(CCO)CCO)nc2c(N(CCC)CCC)nc(N(CCO)CCO)nc12
InChIInChI=1S/C26H48N8O4/c1-5-9-31(10-6-2)23-21-22(28-25(29-23)33(13-17-35)14-18-36)24(32(11-7-3)12-8-4)30-26(27-21)34(15-19-37)16-20-38/h35-38H,5-20H2,1-4H3
InChIKeyIHXLIUSMXMQJOU-UHFFFAOYSA-N
MW536.72 g/mol
LogP1.25
Rot. Bonds20

About 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-bis(dipropylamino)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol

2-[[2-[bis(2-hydroxyethyl)amino]-4,8-bis(dipropylamino)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 16756534) has the molecular formula C26H48N8O4 and a molecular weight of 536.72 g/mol. Its IUPAC name is 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-bis(dipropylamino)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-[bis(2-hydroxyethyl)amino]-4,8-bis(dipropylamino)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
PubChem CID16756534
Molecular FormulaC26H48N8O4
Molecular Weight536.72 g/mol
Exact Mass536.38
IUPAC Name2-[[2-[bis(2-hydroxyethyl)amino]-4,8-bis(dipropylamino)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
SMILESCCCN(CCC)c1nc(N(CCO)CCO)nc2c(N(CCC)CCC)nc(N(CCO)CCO)nc12
InChIInChI=1S/C26H48N8O4/c1-5-9-31(10-6-2)23-21-22(28-25(29-23)33(13-17-35)14-18-36)24(32(11-7-3)12-8-4)30-26(27-21)34(15-19-37)16-20-38/h35-38H,5-20H2,1-4H3
InChIKeyIHXLIUSMXMQJOU-UHFFFAOYSA-N
XLogP1.25
TPSA145.44 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.72
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-bis(dipropylamino)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-bis(dipropylamino)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol (CID 16756534) is 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-bis(dipropylamino)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-bis(dipropylamino)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-bis(dipropylamino)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol is CCCN(CCC)c1nc(N(CCO)CCO)nc2c(N(CCC)CCC)nc(N(CCO)CCO)nc12.
What is the InChIKey of 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-bis(dipropylamino)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is IHXLIUSMXMQJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48N8O4/c1-5-9-31(10-6-2)23-21-22(28-25(29-23)33(13-17-35)14-18-36)24(32(11-7-3)12-8-4)30-26(27-21)34(15-19-37)16-20-38/h35-38H,5-20H2,1-4H3.
What are the key properties of 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-bis(dipropylamino)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol?
2-[[2-[bis(2-hydroxyethyl)amino]-4,8-bis(dipropylamino)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 536.72 g/mol, XLogP of 1.25, 20 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-bis(dipropylamino)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 16756534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).