5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide

C12H22N6O — CID 106241607

IUPAC5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide
SMILESCCCNc1cc(NCCCCC(N)=O)nc(N)n1
InChIInChI=1S/C12H22N6O/c1-2-6-15-10-8-11(18-12(14)17-10)16-7-4-3-5-9(13)19/h8H,2-7H2,1H3,(H2,13,19)(H4,14,15,16,17,18)
InChIKeyDXEHJWBMNZZZDU-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.95
Rot. Bonds9

About 5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide

5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide (PubChem CID 106241607) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide.

Molecular Properties

Compound Name5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide
PubChem CID106241607
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide
SMILESCCCNc1cc(NCCCCC(N)=O)nc(N)n1
InChIInChI=1S/C12H22N6O/c1-2-6-15-10-8-11(18-12(14)17-10)16-7-4-3-5-9(13)19/h8H,2-7H2,1H3,(H2,13,19)(H4,14,15,16,17,18)
InChIKeyDXEHJWBMNZZZDU-UHFFFAOYSA-N
XLogP0.95
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-amino-6-methylpyrimidin-4-yl)amino]pentanamide
CID 106241520
4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide
CID 80790862
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819032
5-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]pentanamide
CID 114162867
4-[[2-amino-6-(butylamino)pyrimidin-4-yl]amino]butanoic acid
CID 122058445
3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80933122
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
4-[[2-amino-6-(butylamino)pyrimidin-4-yl]amino]-2,2-dimethylbutanoic acid
CID 122126419
5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]pentanamide
CID 106241585
ethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80789524
4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80778408
5-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241594

Frequently Asked Questions

What is the IUPAC name of 5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide?
The IUPAC name of 5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide (CID 106241607) is 5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide.
What is the SMILES notation for 5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide?
The canonical SMILES for 5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide is CCCNc1cc(NCCCCC(N)=O)nc(N)n1.
What is the InChIKey of 5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide?
The InChIKey is DXEHJWBMNZZZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-2-6-15-10-8-11(18-12(14)17-10)16-7-4-3-5-9(13)19/h8H,2-7H2,1H3,(H2,13,19)(H4,14,15,16,17,18).
What are the key properties of 5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide?
5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide has a molecular weight of 266.35 g/mol, XLogP of 0.95, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide is sourced from PubChem (CID 106241607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).