3-oxido-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine

C9H16N5O- — CID 90137985

IUPAC3-oxido-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine
SMILESNC1=NC(N2CCCCC2)=CC(N)N1[O-]
InChIInChI=1S/C9H16N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6-7H,1-5,10H2,(H2,11,12)/q-1
InChIKeyNEYJMZUNLGBTLW-UHFFFAOYSA-N
MW210.26 g/mol
LogP-0.27
Rot. Bonds1

About 3-oxido-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine

3-oxido-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine (PubChem CID 90137985) has the molecular formula C9H16N5O- and a molecular weight of 210.26 g/mol. Its IUPAC name is 3-oxido-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name3-oxido-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine
PubChem CID90137985
Molecular FormulaC9H16N5O-
Molecular Weight210.26 g/mol
Exact Mass210.14
IUPAC Name3-oxido-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine
SMILESNC1=NC(N2CCCCC2)=CC(N)N1[O-]
InChIInChI=1S/C9H16N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6-7H,1-5,10H2,(H2,11,12)/q-1
InChIKeyNEYJMZUNLGBTLW-UHFFFAOYSA-N
XLogP-0.27
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-oxido-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine?
The IUPAC name of 3-oxido-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine (CID 90137985) is 3-oxido-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine.
What is the SMILES notation for 3-oxido-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine?
The canonical SMILES for 3-oxido-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine is NC1=NC(N2CCCCC2)=CC(N)N1[O-].
What is the InChIKey of 3-oxido-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine?
The InChIKey is NEYJMZUNLGBTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6-7H,1-5,10H2,(H2,11,12)/q-1.
What are the key properties of 3-oxido-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine?
3-oxido-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine has a molecular weight of 210.26 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxido-6-piperidin-1-yl-4H-pyrimidine-2,4-diamine is sourced from PubChem (CID 90137985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).