2-amino-N-[2-(diethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide

C12H21N5O2 — CID 3055434

IUPAC2-amino-N-[2-(diethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide
SMILESCCN(CC)CCNC(=O)c1cnc(N)nc1OC
InChIInChI=1S/C12H21N5O2/c1-4-17(5-2)7-6-14-10(18)9-8-15-12(13)16-11(9)19-3/h8H,4-7H2,1-3H3,(H,14,18)(H2,13,15,16)
InChIKeyGZCYPUTWPAOFSE-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.14
Rot. Bonds7

About 2-amino-N-[2-(diethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide

2-amino-N-[2-(diethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide (PubChem CID 3055434) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-amino-N-[2-(diethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(diethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide
PubChem CID3055434
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-amino-N-[2-(diethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide
SMILESCCN(CC)CCNC(=O)c1cnc(N)nc1OC
InChIInChI=1S/C12H21N5O2/c1-4-17(5-2)7-6-14-10(18)9-8-15-12(13)16-11(9)19-3/h8H,4-7H2,1-3H3,(H,14,18)(H2,13,15,16)
InChIKeyGZCYPUTWPAOFSE-UHFFFAOYSA-N
XLogP0.14
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(diethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[2-(diethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide (CID 3055434) is 2-amino-N-[2-(diethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(diethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[2-(diethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide is CCN(CC)CCNC(=O)c1cnc(N)nc1OC.
What is the InChIKey of 2-amino-N-[2-(diethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide?
The InChIKey is GZCYPUTWPAOFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-4-17(5-2)7-6-14-10(18)9-8-15-12(13)16-11(9)19-3/h8H,4-7H2,1-3H3,(H,14,18)(H2,13,15,16).
What are the key properties of 2-amino-N-[2-(diethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide?
2-amino-N-[2-(diethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(diethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 3055434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).