6-(1-methylpiperidin-4-yl)oxypyrimidine-2,4-diamine

C10H17N5O — CID 80873922

IUPAC6-(1-methylpiperidin-4-yl)oxypyrimidine-2,4-diamine
SMILESCN1CCC(Oc2cc(N)nc(N)n2)CC1
InChIInChI=1S/C10H17N5O/c1-15-4-2-7(3-5-15)16-9-6-8(11)13-10(12)14-9/h6-7H,2-5H2,1H3,(H4,11,12,13,14)
InChIKeyWGUFSRKFRWDPLP-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.11
Rot. Bonds2

About 6-(1-methylpiperidin-4-yl)oxypyrimidine-2,4-diamine

6-(1-methylpiperidin-4-yl)oxypyrimidine-2,4-diamine (PubChem CID 80873922) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-(1-methylpiperidin-4-yl)oxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(1-methylpiperidin-4-yl)oxypyrimidine-2,4-diamine
PubChem CID80873922
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name6-(1-methylpiperidin-4-yl)oxypyrimidine-2,4-diamine
SMILESCN1CCC(Oc2cc(N)nc(N)n2)CC1
InChIInChI=1S/C10H17N5O/c1-15-4-2-7(3-5-15)16-9-6-8(11)13-10(12)14-9/h6-7H,2-5H2,1H3,(H4,11,12,13,14)
InChIKeyWGUFSRKFRWDPLP-UHFFFAOYSA-N
XLogP0.11
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpiperidin-4-yl)oxypyrimidine-2,4-diamine?
The IUPAC name of 6-(1-methylpiperidin-4-yl)oxypyrimidine-2,4-diamine (CID 80873922) is 6-(1-methylpiperidin-4-yl)oxypyrimidine-2,4-diamine.
What is the SMILES notation for 6-(1-methylpiperidin-4-yl)oxypyrimidine-2,4-diamine?
The canonical SMILES for 6-(1-methylpiperidin-4-yl)oxypyrimidine-2,4-diamine is CN1CCC(Oc2cc(N)nc(N)n2)CC1.
What is the InChIKey of 6-(1-methylpiperidin-4-yl)oxypyrimidine-2,4-diamine?
The InChIKey is WGUFSRKFRWDPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-15-4-2-7(3-5-15)16-9-6-8(11)13-10(12)14-9/h6-7H,2-5H2,1H3,(H4,11,12,13,14).
What are the key properties of 6-(1-methylpiperidin-4-yl)oxypyrimidine-2,4-diamine?
6-(1-methylpiperidin-4-yl)oxypyrimidine-2,4-diamine has a molecular weight of 223.28 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpiperidin-4-yl)oxypyrimidine-2,4-diamine is sourced from PubChem (CID 80873922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).