5-[2-morpholin-4-yl-9-(3-piperazin-2-ylpropyl)purin-6-yl]pyrimidin-2-amine

C20H28N10O — CID 67079929

IUPAC5-[2-morpholin-4-yl-9-(3-piperazin-2-ylpropyl)purin-6-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3CCCC2CNCCN2)cn1
InChIInChI=1S/C20H28N10O/c21-19-24-10-14(11-25-19)16-17-18(28-20(27-16)29-6-8-31-9-7-29)30(13-26-17)5-1-2-15-12-22-3-4-23-15/h10-11,13,15,22-23H,1-9,12H2,(H2,21,24,25)
InChIKeyHAYNLTXWYQNTDW-UHFFFAOYSA-N
MW424.51 g/mol
LogP0.04
Rot. Bonds6

About 5-[2-morpholin-4-yl-9-(3-piperazin-2-ylpropyl)purin-6-yl]pyrimidin-2-amine

5-[2-morpholin-4-yl-9-(3-piperazin-2-ylpropyl)purin-6-yl]pyrimidin-2-amine (PubChem CID 67079929) has the molecular formula C20H28N10O and a molecular weight of 424.51 g/mol. Its IUPAC name is 5-[2-morpholin-4-yl-9-(3-piperazin-2-ylpropyl)purin-6-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-morpholin-4-yl-9-(3-piperazin-2-ylpropyl)purin-6-yl]pyrimidin-2-amine
PubChem CID67079929
Molecular FormulaC20H28N10O
Molecular Weight424.51 g/mol
Exact Mass424.24
IUPAC Name5-[2-morpholin-4-yl-9-(3-piperazin-2-ylpropyl)purin-6-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3CCCC2CNCCN2)cn1
InChIInChI=1S/C20H28N10O/c21-19-24-10-14(11-25-19)16-17-18(28-20(27-16)29-6-8-31-9-7-29)30(13-26-17)5-1-2-15-12-22-3-4-23-15/h10-11,13,15,22-23H,1-9,12H2,(H2,21,24,25)
InChIKeyHAYNLTXWYQNTDW-UHFFFAOYSA-N
XLogP0.04
TPSA131.93 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.51
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Related Compounds

5-[2-morpholin-4-yl-9-(2-piperazin-1-ylethyl)purin-6-yl]pyrimidin-2-amine
CID 58285250
5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine
CID 59588823
[4-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]ethyl]phenyl]-methoxymethanol
CID 143924348
5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
CID 70224122
5-[6-morpholin-4-yl-9-(3-morpholin-4-ylpropyl)purin-2-yl]pyrimidin-2-amine
CID 66909825
5-[9-(1-methylsulfonylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-(2-morpholin-4-yl-9-piperidin-4-ylpurin-6-yl)pyrimidin-2-amine;hydrochloride
CID 160686804
3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanamide
CID 90736300
3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol
CID 44608912
5-[9-[(3E)-6-methylhepta-1,3,5-trien-4-yl]-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine
CID 143785492
tert-butyl 4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxylate
CID 25255762
2-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-N,N-dimethyl-2-oxoacetamide
CID 58285342
1-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]phenyl]ethanol
CID 67221249

Frequently Asked Questions

What is the IUPAC name of 5-[2-morpholin-4-yl-9-(3-piperazin-2-ylpropyl)purin-6-yl]pyrimidin-2-amine?
The IUPAC name of 5-[2-morpholin-4-yl-9-(3-piperazin-2-ylpropyl)purin-6-yl]pyrimidin-2-amine (CID 67079929) is 5-[2-morpholin-4-yl-9-(3-piperazin-2-ylpropyl)purin-6-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-morpholin-4-yl-9-(3-piperazin-2-ylpropyl)purin-6-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-morpholin-4-yl-9-(3-piperazin-2-ylpropyl)purin-6-yl]pyrimidin-2-amine is Nc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3CCCC2CNCCN2)cn1.
What is the InChIKey of 5-[2-morpholin-4-yl-9-(3-piperazin-2-ylpropyl)purin-6-yl]pyrimidin-2-amine?
The InChIKey is HAYNLTXWYQNTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N10O/c21-19-24-10-14(11-25-19)16-17-18(28-20(27-16)29-6-8-31-9-7-29)30(13-26-17)5-1-2-15-12-22-3-4-23-15/h10-11,13,15,22-23H,1-9,12H2,(H2,21,24,25).
What are the key properties of 5-[2-morpholin-4-yl-9-(3-piperazin-2-ylpropyl)purin-6-yl]pyrimidin-2-amine?
5-[2-morpholin-4-yl-9-(3-piperazin-2-ylpropyl)purin-6-yl]pyrimidin-2-amine has a molecular weight of 424.51 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-morpholin-4-yl-9-(3-piperazin-2-ylpropyl)purin-6-yl]pyrimidin-2-amine is sourced from PubChem (CID 67079929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).