6-morpholin-4-ylpyrimidine-2,4,5-triamine;pteridine;dihydrochloride

C14H20Cl2N10O — CID 161348569

IUPAC6-morpholin-4-ylpyrimidine-2,4,5-triamine;pteridine;dihydrochloride
SMILESCl.Cl.Nc1nc(N)c(N)c(N2CCOCC2)n1.c1cnc2ncncc2n1
InChIInChI=1S/C8H14N6O.C6H4N4.2ClH/c9-5-6(10)12-8(11)13-7(5)14-1-3-15-4-2-14;1-2-9-6-5(8-1)3-7-4-10-6;;/h1-4,9H2,(H4,10,11,12,13);1-4H;2*1H
InChIKeyVHEFLOYEPCHSTJ-UHFFFAOYSA-N
MW415.29 g/mol
LogP0.32
Rot. Bonds1

About 6-morpholin-4-ylpyrimidine-2,4,5-triamine;pteridine;dihydrochloride

6-morpholin-4-ylpyrimidine-2,4,5-triamine;pteridine;dihydrochloride (PubChem CID 161348569) has the molecular formula C14H20Cl2N10O and a molecular weight of 415.29 g/mol. Its IUPAC name is 6-morpholin-4-ylpyrimidine-2,4,5-triamine;pteridine;dihydrochloride.

Molecular Properties

Compound Name6-morpholin-4-ylpyrimidine-2,4,5-triamine;pteridine;dihydrochloride
PubChem CID161348569
Molecular FormulaC14H20Cl2N10O
Molecular Weight415.29 g/mol
Exact Mass414.12
IUPAC Name6-morpholin-4-ylpyrimidine-2,4,5-triamine;pteridine;dihydrochloride
SMILESCl.Cl.Nc1nc(N)c(N)c(N2CCOCC2)n1.c1cnc2ncncc2n1
InChIInChI=1S/C8H14N6O.C6H4N4.2ClH/c9-5-6(10)12-8(11)13-7(5)14-1-3-15-4-2-14;1-2-9-6-5(8-1)3-7-4-10-6;;/h1-4,9H2,(H4,10,11,12,13);1-4H;2*1H
InChIKeyVHEFLOYEPCHSTJ-UHFFFAOYSA-N
XLogP0.32
TPSA167.87 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.29
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Related Compounds

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CID 121396239
4,6-dimorpholin-4-ylpyrimidin-5-amine
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5-morpholin-4-yl-2-pteridin-2-ylbenzene-1,3-diamine
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4-([1,3]thiazolo[4,5-d]pyrimidin-2-yl)morpholine
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CID 112750461
3-(4-morpholin-4-ylpyrimidin-5-yl)propan-1-amine
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7-bromo-4-morpholin-4-ylquinazolin-2-amine
CID 133057180
4-morpholin-4-ylpyrimidine-5-carboximidamide
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2-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenol
CID 135617046
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CID 80503744

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-ylpyrimidine-2,4,5-triamine;pteridine;dihydrochloride?
The IUPAC name of 6-morpholin-4-ylpyrimidine-2,4,5-triamine;pteridine;dihydrochloride (CID 161348569) is 6-morpholin-4-ylpyrimidine-2,4,5-triamine;pteridine;dihydrochloride.
What is the SMILES notation for 6-morpholin-4-ylpyrimidine-2,4,5-triamine;pteridine;dihydrochloride?
The canonical SMILES for 6-morpholin-4-ylpyrimidine-2,4,5-triamine;pteridine;dihydrochloride is Cl.Cl.Nc1nc(N)c(N)c(N2CCOCC2)n1.c1cnc2ncncc2n1.
What is the InChIKey of 6-morpholin-4-ylpyrimidine-2,4,5-triamine;pteridine;dihydrochloride?
The InChIKey is VHEFLOYEPCHSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O.C6H4N4.2ClH/c9-5-6(10)12-8(11)13-7(5)14-1-3-15-4-2-14;1-2-9-6-5(8-1)3-7-4-10-6;;/h1-4,9H2,(H4,10,11,12,13);1-4H;2*1H.
What are the key properties of 6-morpholin-4-ylpyrimidine-2,4,5-triamine;pteridine;dihydrochloride?
6-morpholin-4-ylpyrimidine-2,4,5-triamine;pteridine;dihydrochloride has a molecular weight of 415.29 g/mol, XLogP of 0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-ylpyrimidine-2,4,5-triamine;pteridine;dihydrochloride is sourced from PubChem (CID 161348569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).