2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide

C12H22N6O — CID 80806397

IUPAC2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide
SMILESCCCNc1cc(N(CC(N)=O)C(C)C)nc(N)n1
InChIInChI=1S/C12H22N6O/c1-4-5-15-10-6-11(17-12(14)16-10)18(8(2)3)7-9(13)19/h6,8H,4-5,7H2,1-3H3,(H2,13,19)(H3,14,15,16,17)
InChIKeyKKJRUXFQFAVWAP-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.58
Rot. Bonds7

About 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide

2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide (PubChem CID 80806397) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide
PubChem CID80806397
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide
SMILESCCCNc1cc(N(CC(N)=O)C(C)C)nc(N)n1
InChIInChI=1S/C12H22N6O/c1-4-5-15-10-6-11(17-12(14)16-10)18(8(2)3)7-9(13)19/h6,8H,4-5,7H2,1-3H3,(H2,13,19)(H3,14,15,16,17)
InChIKeyKKJRUXFQFAVWAP-UHFFFAOYSA-N
XLogP0.58
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide with MolForge

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Related Compounds

4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,6-triamine
CID 80815785
4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-2,4,6-triamine
CID 80837748
2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]acetamide
CID 80963917
4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80776337
5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241607
4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80815573
4-N-ethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80776357
6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4,6-triamine
CID 80775715
2-[ethyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 103104455
4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
CID 80820583
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-butylamino]ethanol
CID 80808361
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80791556

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide (CID 80806397) is 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide is CCCNc1cc(N(CC(N)=O)C(C)C)nc(N)n1.
What is the InChIKey of 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide?
The InChIKey is KKJRUXFQFAVWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-4-5-15-10-6-11(17-12(14)16-10)18(8(2)3)7-9(13)19/h6,8H,4-5,7H2,1-3H3,(H2,13,19)(H3,14,15,16,17).
What are the key properties of 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide?
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide has a molecular weight of 266.35 g/mol, XLogP of 0.58, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 80806397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).