[4-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol

C19H27ClN8O2 — CID 87510030

IUPAC[4-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol
SMILESOCC1COCCN1c1nc2nc(N3CCNCC3)nc(N3CCCC3)c2nc1Cl
InChIInChI=1S/C19H27ClN8O2/c20-15-18(28-9-10-30-12-13(28)11-29)23-16-14(22-15)17(26-5-1-2-6-26)25-19(24-16)27-7-3-21-4-8-27/h13,21,29H,1-12H2
InChIKeyBMYFNHBFUQBANR-UHFFFAOYSA-N
MW434.93 g/mol
LogP0.28
Rot. Bonds4

About [4-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol

[4-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol (PubChem CID 87510030) has the molecular formula C19H27ClN8O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is [4-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol
PubChem CID87510030
Molecular FormulaC19H27ClN8O2
Molecular Weight434.93 g/mol
Exact Mass434.19
IUPAC Name[4-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol
SMILESOCC1COCCN1c1nc2nc(N3CCNCC3)nc(N3CCCC3)c2nc1Cl
InChIInChI=1S/C19H27ClN8O2/c20-15-18(28-9-10-30-12-13(28)11-29)23-16-14(22-15)17(26-5-1-2-6-26)25-19(24-16)27-7-3-21-4-8-27/h13,21,29H,1-12H2
InChIKeyBMYFNHBFUQBANR-UHFFFAOYSA-N
XLogP0.28
TPSA102.77 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2,6-Dichloro-4,7-dimorpholino-pteridine
CID 13371660
6-Chloro-4,7-dimorpholino-2-piperazino-pteridine
CID 13371667
4-(6-Methyl-4-morpholin-4-yl-2-piperazin-1-ylpteridin-7-yl)morpholine
CID 13647169
6-Chloro-7-(4-hydroxypiperidin-1-yl)-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridine
CID 86616763
6-chloro-7-((R)-3-hydroxypyrrolidin-1-yl)-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridine
CID 86616764
[4-(2,6-Dichloro-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol
CID 87509800
6-chloro-7-[(2R)-2-methylpiperidin-1-yl]-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridine
CID 87509864
6-Chloro-7-(2-methylpiperidin-1-yl)-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridine
CID 87509866
(2R)-1-[(2,6-dichloro-4-pyrrolidin-1-ylpteridin-7-yl)amino]propan-2-ol
CID 87509918
1-[(2,6-Dichloro-4-pyrrolidin-1-ylpteridin-7-yl)amino]propan-2-ol
CID 87509919
4-[[1-(6-Chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)piperidin-3-yl]methyl]morpholine
CID 87510087
6-chloro-7-[(2S)-2-methylpiperidin-1-yl]-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridine
CID 87510137

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol?
The IUPAC name of [4-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol (CID 87510030) is [4-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol.
What is the SMILES notation for [4-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol?
The canonical SMILES for [4-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol is OCC1COCCN1c1nc2nc(N3CCNCC3)nc(N3CCCC3)c2nc1Cl.
What is the InChIKey of [4-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol?
The InChIKey is BMYFNHBFUQBANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN8O2/c20-15-18(28-9-10-30-12-13(28)11-29)23-16-14(22-15)17(26-5-1-2-6-26)25-19(24-16)27-7-3-21-4-8-27/h13,21,29H,1-12H2.
What are the key properties of [4-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol?
[4-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol has a molecular weight of 434.93 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol is sourced from PubChem (CID 87510030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).