8-(1-aminopropyl)-1,3-dimethyl-7H-purine-2,6-dione

C10H15N5O2 — CID 11776306

IUPAC8-(1-aminopropyl)-1,3-dimethyl-7H-purine-2,6-dione
SMILESCCC(N)c1nc2c([nH]1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C10H15N5O2/c1-4-5(11)7-12-6-8(13-7)14(2)10(17)15(3)9(6)16/h5H,4,11H2,1-3H3,(H,12,13)
InChIKeyOEJCVDVCTKNMSI-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.63
Rot. Bonds2

About 8-(1-aminopropyl)-1,3-dimethyl-7H-purine-2,6-dione

8-(1-aminopropyl)-1,3-dimethyl-7H-purine-2,6-dione (PubChem CID 11776306) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 8-(1-aminopropyl)-1,3-dimethyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-(1-aminopropyl)-1,3-dimethyl-7H-purine-2,6-dione
PubChem CID11776306
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name8-(1-aminopropyl)-1,3-dimethyl-7H-purine-2,6-dione
SMILESCCC(N)c1nc2c([nH]1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C10H15N5O2/c1-4-5(11)7-12-6-8(13-7)14(2)10(17)15(3)9(6)16/h5H,4,11H2,1-3H3,(H,12,13)
InChIKeyOEJCVDVCTKNMSI-UHFFFAOYSA-N
XLogP-0.63
TPSA98.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-[1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione
CID 3056912
8-(1-chlorobutyl)-1,3-dimethyl-7H-purine-2,6-dione
CID 70456430
1,3-dimethyl-8-(3-methylpentan-2-ylamino)-7H-purine-2,6-dione
CID 61463587
8-ethoxy-1,3-dimethyl-7H-purine-2,6-dione
CID 14920513
1,3-dimethyl-8-[1-(prop-2-enylamino)prop-2-enyl]-7H-purine-2,6-dione
CID 118467472
1,3-dimethyl-8-(pent-1-yn-3-ylamino)-7H-purine-2,6-dione
CID 106231256
1,3-dimethyl-8-(2-propoxyethyl)-7H-purine-2,6-dione
CID 90447937
8-[2-(dimethylamino)propylamino]-1,3-dimethyl-7H-purine-2,6-dione
CID 61043557
8-(2-ethoxyethylamino)-1,3-dimethyl-7H-purine-2,6-dione
CID 43591219
(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)iminoazanium
CID 137270785
8-(dicyclopropylmethyl)-1-(111C)methyl-3-propyl-7H-purine-2,6-dione
CID 5461877
8-[[(2S)-2-hydroxypropyl]amino]-1,3-dimethyl-7H-purine-2,6-dione
CID 6928527

Frequently Asked Questions

What is the IUPAC name of 8-(1-aminopropyl)-1,3-dimethyl-7H-purine-2,6-dione?
The IUPAC name of 8-(1-aminopropyl)-1,3-dimethyl-7H-purine-2,6-dione (CID 11776306) is 8-(1-aminopropyl)-1,3-dimethyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-(1-aminopropyl)-1,3-dimethyl-7H-purine-2,6-dione?
The canonical SMILES for 8-(1-aminopropyl)-1,3-dimethyl-7H-purine-2,6-dione is CCC(N)c1nc2c([nH]1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 8-(1-aminopropyl)-1,3-dimethyl-7H-purine-2,6-dione?
The InChIKey is OEJCVDVCTKNMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-4-5(11)7-12-6-8(13-7)14(2)10(17)15(3)9(6)16/h5H,4,11H2,1-3H3,(H,12,13).
What are the key properties of 8-(1-aminopropyl)-1,3-dimethyl-7H-purine-2,6-dione?
8-(1-aminopropyl)-1,3-dimethyl-7H-purine-2,6-dione has a molecular weight of 237.26 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-aminopropyl)-1,3-dimethyl-7H-purine-2,6-dione is sourced from PubChem (CID 11776306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).