2-(1-methylpiperidin-4-yl)-1H-pyrimidine-2,5-diamine

C10H19N5 — CID 154164798

IUPAC2-(1-methylpiperidin-4-yl)-1H-pyrimidine-2,5-diamine
SMILESCN1CCC(C2(N)N=CC(N)=CN2)CC1
InChIInChI=1S/C10H19N5/c1-15-4-2-8(3-5-15)10(12)13-6-9(11)7-14-10/h6-8,13H,2-5,11-12H2,1H3
InChIKeyJMGFEZSBKHSFBA-UHFFFAOYSA-N
MW209.30 g/mol
LogP-0.59
Rot. Bonds1

About 2-(1-methylpiperidin-4-yl)-1H-pyrimidine-2,5-diamine

2-(1-methylpiperidin-4-yl)-1H-pyrimidine-2,5-diamine (PubChem CID 154164798) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-1H-pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-1H-pyrimidine-2,5-diamine
PubChem CID154164798
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name2-(1-methylpiperidin-4-yl)-1H-pyrimidine-2,5-diamine
SMILESCN1CCC(C2(N)N=CC(N)=CN2)CC1
InChIInChI=1S/C10H19N5/c1-15-4-2-8(3-5-15)10(12)13-6-9(11)7-14-10/h6-8,13H,2-5,11-12H2,1H3
InChIKeyJMGFEZSBKHSFBA-UHFFFAOYSA-N
XLogP-0.59
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-1H-pyrimidine-2,5-diamine?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-1H-pyrimidine-2,5-diamine (CID 154164798) is 2-(1-methylpiperidin-4-yl)-1H-pyrimidine-2,5-diamine.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-1H-pyrimidine-2,5-diamine?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-1H-pyrimidine-2,5-diamine is CN1CCC(C2(N)N=CC(N)=CN2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-1H-pyrimidine-2,5-diamine?
The InChIKey is JMGFEZSBKHSFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-15-4-2-8(3-5-15)10(12)13-6-9(11)7-14-10/h6-8,13H,2-5,11-12H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-1H-pyrimidine-2,5-diamine?
2-(1-methylpiperidin-4-yl)-1H-pyrimidine-2,5-diamine has a molecular weight of 209.30 g/mol, XLogP of -0.59, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-1H-pyrimidine-2,5-diamine is sourced from PubChem (CID 154164798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).