3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide

C10H16ClN5O — CID 106095560

IUPAC3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCc1nc(Cl)nc(NC(C)(C)CC(N)=O)c1N
InChIInChI=1S/C10H16ClN5O/c1-5-7(13)8(15-9(11)14-5)16-10(2,3)4-6(12)17/h4,13H2,1-3H3,(H2,12,17)(H,14,15,16)
InChIKeyZETUXCJZTTVFJK-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.09
Rot. Bonds4

About 3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide

3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide (PubChem CID 106095560) has the molecular formula C10H16ClN5O and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide
PubChem CID106095560
Molecular FormulaC10H16ClN5O
Molecular Weight257.72 g/mol
Exact Mass257.10
IUPAC Name3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCc1nc(Cl)nc(NC(C)(C)CC(N)=O)c1N
InChIInChI=1S/C10H16ClN5O/c1-5-7(13)8(15-9(11)14-5)16-10(2,3)4-6(12)17/h4,13H2,1-3H3,(H2,12,17)(H,14,15,16)
InChIKeyZETUXCJZTTVFJK-UHFFFAOYSA-N
XLogP1.09
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide (CID 106095560) is 3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide is Cc1nc(Cl)nc(NC(C)(C)CC(N)=O)c1N.
What is the InChIKey of 3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide?
The InChIKey is ZETUXCJZTTVFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O/c1-5-7(13)8(15-9(11)14-5)16-10(2,3)4-6(12)17/h4,13H2,1-3H3,(H2,12,17)(H,14,15,16).
What are the key properties of 3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide?
3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide has a molecular weight of 257.72 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 106095560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).