2-[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]ethylcarbamic acid

C13H21N5O2 — CID 67136227

IUPAC2-[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]ethylcarbamic acid
SMILESCc1cc(N2CCC(CCNC(=O)O)CC2)nc(N)n1
InChIInChI=1S/C13H21N5O2/c1-9-8-11(17-12(14)16-9)18-6-3-10(4-7-18)2-5-15-13(19)20/h8,10,15H,2-7H2,1H3,(H,19,20)(H2,14,16,17)
InChIKeyQHKRDBIIMMRBJD-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.24
Rot. Bonds4

About 2-[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]ethylcarbamic acid

2-[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]ethylcarbamic acid (PubChem CID 67136227) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]ethylcarbamic acid
PubChem CID67136227
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name2-[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]ethylcarbamic acid
SMILESCc1cc(N2CCC(CCNC(=O)O)CC2)nc(N)n1
InChIInChI=1S/C13H21N5O2/c1-9-8-11(17-12(14)16-9)18-6-3-10(4-7-18)2-5-15-13(19)20/h8,10,15H,2-7H2,1H3,(H,19,20)(H2,14,16,17)
InChIKeyQHKRDBIIMMRBJD-UHFFFAOYSA-N
XLogP1.24
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]ethylcarbamic acid?
The IUPAC name of 2-[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]ethylcarbamic acid (CID 67136227) is 2-[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]ethylcarbamic acid?
The canonical SMILES for 2-[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]ethylcarbamic acid is Cc1cc(N2CCC(CCNC(=O)O)CC2)nc(N)n1.
What is the InChIKey of 2-[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]ethylcarbamic acid?
The InChIKey is QHKRDBIIMMRBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-9-8-11(17-12(14)16-9)18-6-3-10(4-7-18)2-5-15-13(19)20/h8,10,15H,2-7H2,1H3,(H,19,20)(H2,14,16,17).
What are the key properties of 2-[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]ethylcarbamic acid?
2-[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]ethylcarbamic acid has a molecular weight of 279.34 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]ethylcarbamic acid is sourced from PubChem (CID 67136227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).