4-[2-(2-aminoethyl)pentylamino]-5-chloro-1H-pyrimidin-6-one

C11H19ClN4O — CID 136704106

IUPAC4-[2-(2-aminoethyl)pentylamino]-5-chloro-1H-pyrimidin-6-one
SMILESCCCC(CCN)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H19ClN4O/c1-2-3-8(4-5-13)6-14-10-9(12)11(17)16-7-15-10/h7-8H,2-6,13H2,1H3,(H2,14,15,16,17)
InChIKeyHLOJWACTPGRSNL-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.60
Rot. Bonds7

About 4-[2-(2-aminoethyl)pentylamino]-5-chloro-1H-pyrimidin-6-one

4-[2-(2-aminoethyl)pentylamino]-5-chloro-1H-pyrimidin-6-one (PubChem CID 136704106) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 4-[2-(2-aminoethyl)pentylamino]-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(2-aminoethyl)pentylamino]-5-chloro-1H-pyrimidin-6-one
PubChem CID136704106
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name4-[2-(2-aminoethyl)pentylamino]-5-chloro-1H-pyrimidin-6-one
SMILESCCCC(CCN)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H19ClN4O/c1-2-3-8(4-5-13)6-14-10-9(12)11(17)16-7-15-10/h7-8H,2-6,13H2,1H3,(H2,14,15,16,17)
InChIKeyHLOJWACTPGRSNL-UHFFFAOYSA-N
XLogP1.60
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methyl-4-[2-[(3R)-1-methylpiperidin-3-yl]ethylamino]-1H-pyrimidin-6-one
CID 137148245
4-(5-aminopentylamino)-5-chloro-1H-pyrimidin-6-one
CID 136689845
5-chloro-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701813
4-(2-ethylhexylamino)-5-iodo-1H-pyrimidin-6-one
CID 136701822
4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701823
4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704110
4-[2-(2-aminoethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
CID 136704111
5-chloro-4-[2-(2-chloroethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704114
4-[2-(2-chloroethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
CID 136704115
5-chloro-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
CID 136716231
5-chloro-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136723582
5-chloro-4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 136731496

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethyl)pentylamino]-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(2-aminoethyl)pentylamino]-5-chloro-1H-pyrimidin-6-one (CID 136704106) is 4-[2-(2-aminoethyl)pentylamino]-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(2-aminoethyl)pentylamino]-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(2-aminoethyl)pentylamino]-5-chloro-1H-pyrimidin-6-one is CCCC(CCN)CNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 4-[2-(2-aminoethyl)pentylamino]-5-chloro-1H-pyrimidin-6-one?
The InChIKey is HLOJWACTPGRSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-2-3-8(4-5-13)6-14-10-9(12)11(17)16-7-15-10/h7-8H,2-6,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-[2-(2-aminoethyl)pentylamino]-5-chloro-1H-pyrimidin-6-one?
4-[2-(2-aminoethyl)pentylamino]-5-chloro-1H-pyrimidin-6-one has a molecular weight of 258.75 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoethyl)pentylamino]-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 136704106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).