3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-tert-butylpropanamide

C11H18ClN5O — CID 113411173

IUPAC3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-tert-butylpropanamide
SMILESCC(C)(C)NC(=O)CCNc1nc(N)ncc1Cl
InChIInChI=1S/C11H18ClN5O/c1-11(2,3)17-8(18)4-5-14-9-7(12)6-15-10(13)16-9/h6H,4-5H2,1-3H3,(H,17,18)(H3,13,14,15,16)
InChIKeyMMIHQHGKGFLRMU-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.43
Rot. Bonds4

About 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-tert-butylpropanamide

3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-tert-butylpropanamide (PubChem CID 113411173) has the molecular formula C11H18ClN5O and a molecular weight of 271.75 g/mol. Its IUPAC name is 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-tert-butylpropanamide
PubChem CID113411173
Molecular FormulaC11H18ClN5O
Molecular Weight271.75 g/mol
Exact Mass271.12
IUPAC Name3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-tert-butylpropanamide
SMILESCC(C)(C)NC(=O)CCNc1nc(N)ncc1Cl
InChIInChI=1S/C11H18ClN5O/c1-11(2,3)17-8(18)4-5-14-9-7(12)6-15-10(13)16-9/h6H,4-5H2,1-3H3,(H,17,18)(H3,13,14,15,16)
InChIKeyMMIHQHGKGFLRMU-UHFFFAOYSA-N
XLogP1.43
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]propanamide
CID 112700846
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-butan-2-ylpropanamide
CID 80819921
2-[(2-amino-5-chloropyrimidin-4-yl)amino]ethylurea
CID 83117242
3-[2-[(2-amino-5-chloropyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83118129
3-[(2-amino-7H-purin-6-yl)amino]-N-tert-butylpropanamide
CID 104623604
5-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine
CID 130505088
3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80903270
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366556
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-tert-butylacetamide
CID 113293343
3-[(2,5-dichloropyrimidin-4-yl)amino]-N-propylpropanamide
CID 79632812
4-[(2-amino-5-chloropyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149814
5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine
CID 80836031

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-tert-butylpropanamide?
The IUPAC name of 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-tert-butylpropanamide (CID 113411173) is 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-tert-butylpropanamide.
What is the SMILES notation for 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-tert-butylpropanamide?
The canonical SMILES for 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-tert-butylpropanamide is CC(C)(C)NC(=O)CCNc1nc(N)ncc1Cl.
What is the InChIKey of 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-tert-butylpropanamide?
The InChIKey is MMIHQHGKGFLRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O/c1-11(2,3)17-8(18)4-5-14-9-7(12)6-15-10(13)16-9/h6H,4-5H2,1-3H3,(H,17,18)(H3,13,14,15,16).
What are the key properties of 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-tert-butylpropanamide?
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-tert-butylpropanamide has a molecular weight of 271.75 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-tert-butylpropanamide is sourced from PubChem (CID 113411173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).