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

C10H17N5O2 — CID 3069098

IUPAC2-amino-N-[2-(dimethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide
SMILESCOc1nc(N)ncc1C(=O)NCCN(C)C
InChIInChI=1S/C10H17N5O2/c1-15(2)5-4-12-8(16)7-6-13-10(11)14-9(7)17-3/h6H,4-5H2,1-3H3,(H,12,16)(H2,11,13,14)
InChIKeyCWBUKVAYTXMQSM-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.64
Rot. Bonds5

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

2-amino-N-[2-(dimethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide (PubChem CID 3069098) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide
PubChem CID3069098
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name2-amino-N-[2-(dimethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide
SMILESCOc1nc(N)ncc1C(=O)NCCN(C)C
InChIInChI=1S/C10H17N5O2/c1-15(2)5-4-12-8(16)7-6-13-10(11)14-9(7)17-3/h6H,4-5H2,1-3H3,(H,12,16)(H2,11,13,14)
InChIKeyCWBUKVAYTXMQSM-UHFFFAOYSA-N
XLogP-0.64
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.64
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-(dimethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide (CID 3069098) is 2-amino-N-[2-(dimethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide is COc1nc(N)ncc1C(=O)NCCN(C)C.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide?
The InChIKey is CWBUKVAYTXMQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-15(2)5-4-12-8(16)7-6-13-10(11)14-9(7)17-3/h6H,4-5H2,1-3H3,(H,12,16)(H2,11,13,14).
What are the key properties of 2-amino-N-[2-(dimethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide?
2-amino-N-[2-(dimethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)ethyl]-4-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 3069098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).