4-amino-N-(2-hydroxyethyl)-N-propylpyrimidine-5-carboxamide

C10H16N4O2 — CID 110091364

IUPAC4-amino-N-(2-hydroxyethyl)-N-propylpyrimidine-5-carboxamide
SMILESCCCN(CCO)C(=O)c1cncnc1N
InChIInChI=1S/C10H16N4O2/c1-2-3-14(4-5-15)10(16)8-6-12-7-13-9(8)11/h6-7,15H,2-5H2,1H3,(H2,11,12,13)
InChIKeyDOXCUXJNGDNVNF-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.10
Rot. Bonds5

About 4-amino-N-(2-hydroxyethyl)-N-propylpyrimidine-5-carboxamide

4-amino-N-(2-hydroxyethyl)-N-propylpyrimidine-5-carboxamide (PubChem CID 110091364) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxyethyl)-N-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxyethyl)-N-propylpyrimidine-5-carboxamide
PubChem CID110091364
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-amino-N-(2-hydroxyethyl)-N-propylpyrimidine-5-carboxamide
SMILESCCCN(CCO)C(=O)c1cncnc1N
InChIInChI=1S/C10H16N4O2/c1-2-3-14(4-5-15)10(16)8-6-12-7-13-9(8)11/h6-7,15H,2-5H2,1H3,(H2,11,12,13)
InChIKeyDOXCUXJNGDNVNF-UHFFFAOYSA-N
XLogP-0.10
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxyethyl)-N-propylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxyethyl)-N-propylpyrimidine-5-carboxamide (CID 110091364) is 4-amino-N-(2-hydroxyethyl)-N-propylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxyethyl)-N-propylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxyethyl)-N-propylpyrimidine-5-carboxamide is CCCN(CCO)C(=O)c1cncnc1N.
What is the InChIKey of 4-amino-N-(2-hydroxyethyl)-N-propylpyrimidine-5-carboxamide?
The InChIKey is DOXCUXJNGDNVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-2-3-14(4-5-15)10(16)8-6-12-7-13-9(8)11/h6-7,15H,2-5H2,1H3,(H2,11,12,13).
What are the key properties of 4-amino-N-(2-hydroxyethyl)-N-propylpyrimidine-5-carboxamide?
4-amino-N-(2-hydroxyethyl)-N-propylpyrimidine-5-carboxamide has a molecular weight of 224.26 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxyethyl)-N-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 110091364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).