7-(aminomethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;2-methylpentane

C13H23N5 — CID 144902716

IUPAC7-(aminomethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;2-methylpentane
SMILESCCCC(C)C.NCc1c[nH]c2c(N)ncnc12
InChIInChI=1S/C7H9N5.C6H14/c8-1-4-2-10-6-5(4)11-3-12-7(6)9;1-4-5-6(2)3/h2-3,10H,1,8H2,(H2,9,11,12);6H,4-5H2,1-3H3
InChIKeyDWXPGWABYOWUAB-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.44
Rot. Bonds3

About 7-(aminomethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;2-methylpentane

7-(aminomethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;2-methylpentane (PubChem CID 144902716) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 7-(aminomethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;2-methylpentane.

Molecular Properties

Compound Name7-(aminomethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;2-methylpentane
PubChem CID144902716
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name7-(aminomethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;2-methylpentane
SMILESCCCC(C)C.NCc1c[nH]c2c(N)ncnc12
InChIInChI=1S/C7H9N5.C6H14/c8-1-4-2-10-6-5(4)11-3-12-7(6)9;1-4-5-6(2)3/h2-3,10H,1,8H2,(H2,9,11,12);6H,4-5H2,1-3H3
InChIKeyDWXPGWABYOWUAB-UHFFFAOYSA-N
XLogP2.44
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methylbutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 150586957
(4-butoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methanamine
CID 71002750
1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-pentylpyrrolidin-3-ol
CID 123651063
7-[[3-(methylsulfanylmethyl)azetidin-1-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 24799125
(2R,3S)-3-[[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]methyl]-4-pentylsulfanylbutan-2-ol
CID 90059755
(2R,3S)-3-[[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]methyl]-4-(2-hydroxyethylsulfanyl)butan-2-ol
CID 90059719
(3S,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(butylsulfanylmethyl)pyrrolidin-3-ol
CID 73213610
1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(butylsulfanylmethyl)pyrrolidin-3-ol
CID 72829752
3-[[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl-methylamino]methyl]-4-methylsulfanylbutane-1,2-diol
CID 74349226
(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(pentylsulfanylmethyl)pyrrolidin-3-ol
CID 147240131
2-[[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]methyl]-3-methylsulfanylpropan-1-ol
CID 24899717
(3R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(methylsulfanylmethyl)pyrrolidin-3-ol;oxalic acid
CID 90135144

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;2-methylpentane?
The IUPAC name of 7-(aminomethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;2-methylpentane (CID 144902716) is 7-(aminomethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;2-methylpentane.
What is the SMILES notation for 7-(aminomethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;2-methylpentane?
The canonical SMILES for 7-(aminomethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;2-methylpentane is CCCC(C)C.NCc1c[nH]c2c(N)ncnc12.
What is the InChIKey of 7-(aminomethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;2-methylpentane?
The InChIKey is DWXPGWABYOWUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5.C6H14/c8-1-4-2-10-6-5(4)11-3-12-7(6)9;1-4-5-6(2)3/h2-3,10H,1,8H2,(H2,9,11,12);6H,4-5H2,1-3H3.
What are the key properties of 7-(aminomethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;2-methylpentane?
7-(aminomethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;2-methylpentane has a molecular weight of 249.36 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;2-methylpentane is sourced from PubChem (CID 144902716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).