2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-propylpropanamide

C10H16ClN5O — CID 114049769

IUPAC2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ncnc(N)c1Cl
InChIInChI=1S/C10H16ClN5O/c1-3-4-13-10(17)6(2)16-9-7(11)8(12)14-5-15-9/h5-6H,3-4H2,1-2H3,(H,13,17)(H3,12,14,15,16)
InChIKeyKRZGEANSKRAVAH-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.04
Rot. Bonds5

About 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-propylpropanamide

2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-propylpropanamide (PubChem CID 114049769) has the molecular formula C10H16ClN5O and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-propylpropanamide
PubChem CID114049769
Molecular FormulaC10H16ClN5O
Molecular Weight257.72 g/mol
Exact Mass257.10
IUPAC Name2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ncnc(N)c1Cl
InChIInChI=1S/C10H16ClN5O/c1-3-4-13-10(17)6(2)16-9-7(11)8(12)14-5-15-9/h5-6H,3-4H2,1-2H3,(H,13,17)(H3,12,14,15,16)
InChIKeyKRZGEANSKRAVAH-UHFFFAOYSA-N
XLogP1.04
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-propylpropanamide (CID 114049769) is 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1ncnc(N)c1Cl.
What is the InChIKey of 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-propylpropanamide?
The InChIKey is KRZGEANSKRAVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O/c1-3-4-13-10(17)6(2)16-9-7(11)8(12)14-5-15-9/h5-6H,3-4H2,1-2H3,(H,13,17)(H3,12,14,15,16).
What are the key properties of 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-propylpropanamide?
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-propylpropanamide has a molecular weight of 257.72 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 114049769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).