5-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine

C10H17N5O — CID 154327108

IUPAC5-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
SMILESNc1ncnc(N)c1CCN1CCOCC1
InChIInChI=1S/C10H17N5O/c11-9-8(10(12)14-7-13-9)1-2-15-3-5-16-6-4-15/h7H,1-6H2,(H4,11,12,13,14)
InChIKeyQSOBAVPPODRUCH-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.48
Rot. Bonds3

About 5-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine

5-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine (PubChem CID 154327108) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
PubChem CID154327108
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name5-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
SMILESNc1ncnc(N)c1CCN1CCOCC1
InChIInChI=1S/C10H17N5O/c11-9-8(10(12)14-7-13-9)1-2-15-3-5-16-6-4-15/h7H,1-6H2,(H4,11,12,13,14)
InChIKeyQSOBAVPPODRUCH-UHFFFAOYSA-N
XLogP-0.48
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine (CID 154327108) is 5-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine is Nc1ncnc(N)c1CCN1CCOCC1.
What is the InChIKey of 5-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is QSOBAVPPODRUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c11-9-8(10(12)14-7-13-9)1-2-15-3-5-16-6-4-15/h7H,1-6H2,(H4,11,12,13,14).
What are the key properties of 5-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine?
5-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 223.28 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 154327108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).