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

C15H25N5O2 — CID 67136144

IUPAC2-[1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid
SMILESCc1cc(N(C)C)nc(N2CCC(CCNC(=O)O)CC2)n1
InChIInChI=1S/C15H25N5O2/c1-11-10-13(19(2)3)18-14(17-11)20-8-5-12(6-9-20)4-7-16-15(21)22/h10,12,16H,4-9H2,1-3H3,(H,21,22)
InChIKeyHFMJUDFRFZBANI-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.73
Rot. Bonds5

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

2-[1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid (PubChem CID 67136144) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid
PubChem CID67136144
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name2-[1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid
SMILESCc1cc(N(C)C)nc(N2CCC(CCNC(=O)O)CC2)n1
InChIInChI=1S/C15H25N5O2/c1-11-10-13(19(2)3)18-14(17-11)20-8-5-12(6-9-20)4-7-16-15(21)22/h10,12,16H,4-9H2,1-3H3,(H,21,22)
InChIKeyHFMJUDFRFZBANI-UHFFFAOYSA-N
XLogP1.73
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid?
The IUPAC name of 2-[1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid (CID 67136144) is 2-[1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid?
The canonical SMILES for 2-[1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid is Cc1cc(N(C)C)nc(N2CCC(CCNC(=O)O)CC2)n1.
What is the InChIKey of 2-[1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid?
The InChIKey is HFMJUDFRFZBANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-11-10-13(19(2)3)18-14(17-11)20-8-5-12(6-9-20)4-7-16-15(21)22/h10,12,16H,4-9H2,1-3H3,(H,21,22).
What are the key properties of 2-[1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid?
2-[1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid has a molecular weight of 307.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperidin-4-yl]ethylcarbamic acid is sourced from PubChem (CID 67136144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).