3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propanamide

C10H17N5O — CID 80787743

IUPAC3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propanamide
SMILESCCNc1ncnc(NCCC(N)=O)c1C
InChIInChI=1S/C10H17N5O/c1-3-12-9-7(2)10(15-6-14-9)13-5-4-8(11)16/h6H,3-5H2,1-2H3,(H2,11,16)(H2,12,13,14,15)
InChIKeyYHIDNRQPYCTUDX-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.50
Rot. Bonds6

About 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propanamide

3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propanamide (PubChem CID 80787743) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propanamide
PubChem CID80787743
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propanamide
SMILESCCNc1ncnc(NCCC(N)=O)c1C
InChIInChI=1S/C10H17N5O/c1-3-12-9-7(2)10(15-6-14-9)13-5-4-8(11)16/h6H,3-5H2,1-2H3,(H2,11,16)(H2,12,13,14,15)
InChIKeyYHIDNRQPYCTUDX-UHFFFAOYSA-N
XLogP0.50
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80786995
ethyl 3-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80816605
4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide
CID 66326842
ethyl 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanoate
CID 80817030
6-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]hexan-1-ol
CID 114009546
N-ethyl-2-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetamide
CID 80787425
6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine
CID 115565379
2-[2-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol
CID 80825941
ethyl 4-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]butanoate
CID 80915942
3-[(6-amino-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80819686
5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pentanamide
CID 106238678
methyl 3-[(6-amino-5-methylpyrimidin-4-yl)amino]propanoate
CID 80796856

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propanamide?
The IUPAC name of 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propanamide (CID 80787743) is 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propanamide?
The canonical SMILES for 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propanamide is CCNc1ncnc(NCCC(N)=O)c1C.
What is the InChIKey of 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propanamide?
The InChIKey is YHIDNRQPYCTUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-3-12-9-7(2)10(15-6-14-9)13-5-4-8(11)16/h6H,3-5H2,1-2H3,(H2,11,16)(H2,12,13,14,15).
What are the key properties of 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propanamide?
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propanamide has a molecular weight of 223.28 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 80787743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).